Publications of Roman Krems


Research Articles        Perspectives        Review Articles        Books        Invited Talks        Book Chapters        Book Reviews        Commentaries





Perspectives

      
      

      

  • R. V. Krems,
                 Bayesian Machine Learning for Quantum Molecular Dynamics,
                 Physical Chemistry Chemical Physics 21, 13392 (2019).               [link to article]
          
  • R. V. Krems,
                 Cold Controlled Chemistry,
                 Physical Chemistry Chemical Physics 10, 4079 (2008).               [link to article]






  • Research articles

          

           114. F. Suzuki, M. Lemeshko, W. H. Zurek, and R. V. Krems,
                 Anderson localization of composite particles,
                 Physical Review Letters, accepted for publication (2021)              

           113. B. Hou and R. V. Krems,
                 Quantum transfer through small networks coupled to phonons: effects of topology vs phonons,
                 Physical Review E, accepted for publication (2021)              

           112. N. Sugisawa, H. Sugisawa, Y. Otake, R. V. Krems, H. Nakamura, and S. Fuse,
                 Rapid and Mild One-Flow Synthetic Approach to Unsymmetrical Sulfamides Guided by Bayesian Optimization,
                 Chemistry Methods, https://doi.org/10.1002/cmtd.202100053 (2021)              

           111. Z. Deng, I. Tutunnikov, I. Sh. Averbukh, M. Thachuk, and R. V. Krems,
                 Bayesian optimization for inverse problems in time-dependent quantum dynamics,
                 Journal of Chemical Physics 153, 164111 (2020) - special issue on Machine Learning for Chemical Physics.              

           110. H. Sugisawa, T. Ida, and R. V. Krems,
                 Gaussian process model of 51-dimensional potential energy surface for protonated imidazole dimer,
                 Journal of Chemical Physics 153, 114101 (2020) - special issue on Machine Learning for Chemical Physics.              

           109. A. Jasinski, J. Montaner, R. C. Forrey, B. H. Yang, P. C. Stancil, N. Balakrishnan, J. Dai, R. A. Vargas-Hernandez, and R. V. Krems,
                 Machine-learning-corrected quantum dynamics calculations,
                 Physical Review Research (Rapid Communication) 2, 032051(R) (2020).              

           108. J. Cantin, G. Alexandrowicz and R. V. Krems,
                 Transfer-matrix theory of surface spin-echo experiments with molecules,
                 Physical Review A 101, 062703 (2020).              

           107. J. Dai and R. V. Krems,
                 Interpolation and extrapolation of global potential energy surfaces for polyatomic systems by Gaussian processes with composite kernels,
                 Journal of Chemical Theory and Computation 16, 1386 (2020).              

           106. O. Stauffert, M. Walter, M. Berciu, and R. V. Krems,
                 Substituent effects on the Su-Schrieffer-Heeger electron-phonon coupling in conjugated polyenes,
                 Physical Review B 100, 235129 (2019).              

           105. J. L. Booth, P. Shen, R. V. Krems, K. W. Madison,
                 Universality of quantum diffractive collisions and the quantum pressure standard,
                 New Journal of Physics (Fast Track Communication) 21, 102001 (2019).              

           104. M. Morita, R. V. Krems, and T. V. Tscherbul,
                 Universal probability distributions of scattering observables in ultracold molecular collisions,
                 Physical Review Letters 123, 013401 (2019).              

           103. A. Christianen, T. Karman, R. A. Vargas-Hernandez, G. C. Groenenboom and R. V. Krems,
                 Six-dimensional potential energy surface for NaK-NaK collisions: Gaussian process representation with correct asymptotic form,
                 Journal of Chemical Physics 150, 064106 (2019). ©              

           102. R. A. Vargas-Hernandez, Y. Guan, D. H. Zhang, and R. V. Krems,
                 Bayesian optimization for the inverse scattering problem in quantum reaction dynamics,
                 New Journal of Physics (Fast Track Communication) 21, 022001 (2019).              

           101. R. A. Vargas-Hernandez, J. Sous, M. Berciu, and R. V. Krems,
                 Extrapolating quantum observables with machine learning: Inferring multiple phase transitions from properties of a single phase,
                 Physical Review Letters 121, 255702 (2018).              

           100. J. Sous, M. Chakraborty, R. V. Krems, and M. Berciu,
                 Light bipolarons stabilized by Peierls electron-phonon coupling,
                 Physical Review Letters 121, 247001 (2018).              

           99. R.Vargas-Hernandez and R. V. Krems,
                 Quantum walks assisted by particle number fluctuations,
                 Physical Review A 98, 022107 (2018).              

           98. J. Cantin, T. Xu, and R. V. Krems,
                 Effect of anisotropy of long-range hopping on localization in three-dimensional lattices,
                 Physical Review B 98, 014204 (2018).              

           97. S. Fuchs, R. Bennett, R. V. Krems, and S. Y. Buhmann,
                 Non-additivity of optical and Casimir-Polder potentials,
                 Physical Review Letters 121, 083603 (2018).              

           96. J. Huang, S. Liu, D. H. Zhang, and R. V. Krems,
                 Time-dependent wave packet dynamics calculations of cross sections for ultracold scattering of molecules,
                 Physical Review Letters 120, 143401 (2018).              

           95. A. Kamath, R. Vargas-Hernandez, R. V. Krems, T. Carrington, and S. Manzhos,
                 Neural Networks vs Gaussian Process Regression for Representing Potential Energy Surfaces: a Comparative Study of Fit Quality and Vibrational Spectrum Accuracy,
                 Journal of Chemical Physics 148, 241702 (2018), selected as Editor's pick ©              

           94. J. Sous, M. Berciu, and R. V. Krems
                 Bipolarons bound by repulsive phonon-mediated interactions,
                 Physical Review A 96, 063619 (2017).              

           93. S. Fuchs, F. Lindel, R. V. Krems, G. W. Hanson, M. Antezza, and S. Y. Buhmann,
                 Casimir-Lifshitz Force for Nonreciprocal Media and Applications to Photonic Topological Insulators,
                 Physical Review A 96, 062505 (2017).              

           92. J. Sous, M. Chakraborty, C. P. J. Adolphs, R. V. Krems, and M. Berciu,
                 Phonon-mediated repulsion, sharp transitions and (quasi)self-trapping in the extended Peierls-Hubbard model,
                 Scientific Reports 7, 1169 (2017).              

           91. O. Godsi, G. Corem, Y. Alkoby, J. Cantin, R. V. Krems, M. F. Somers, J. Meyer, G.-J. Kroes, T. Maniv, and G. Alexandrowicz,
                 A general method for controlling and resolving rotational orientation of molecules in molecule - surface collisions,
                 Nature Communications 8, 15357 (2017).              

           90. D. Vieira, R. V. Krems and T. V. Tscherbul,
                 Molecular collisions and reactive scattering in external fields: are field-induced couplings important at short range?
                 Journal of Chemical Physics 146, 024102 (2017). ©              

           89. D. Vieira and R. V. Krems,
                 Rate constants for fine structure transitions in O - H collisions with error bars obtained by machine learning,
                 Astrophysical Journal 835, 255 (2017).              

           88. T. Chattaraj and R. V. Krems,
                 Effects of long-range hopping and interactions on quantum walks in ordered and disordered lattices,
                 Physical Review A 94, 023601 (2016).              

           87. J. Cui and R. V. Krems,
                 Efficient non-parametric fitting of potential energy surfaces for polyatomic molecules with Gaussian processes,
                 Journal of Physics B 49, 224001 (2016); arXiv:1509.06473              

           86. R. Vargas-Hernandez and R. V. Krems,
                 Engineering extended Hubbard models with Zeeman excitations of ultracold Dy atoms,
                 Journal of Physics B 49, 235501 (2016); arXiv:1507.07042              

           85. J. Cui, Z. Li and R. V. Krems,
                 Gaussian Process Model for Extrapolation of Scattering Observables for Complex Molecules: from Benzene to Benzonitrile,
                 Journal of Chemical Physics 143, 154101 (2015).               [pdf] ©

           84. J. Cui and R. V. Krems,
                 Gaussian Process Model for Collision Dynamics of Complex Molecules,
                 Physical Review Letters 115, 073202 (2015).               [pdf]

           83. T. V. Tscherbul and R. V. Krems,
                 Tuning bimolecular chemical reactions by electric fields,
                 Physical Review Letters 115, 023201 (2015).               [pdf]

           82. T. Xu and R. V. Krems,
                 Quantum walk and Anderson localization of rotational excitations in disordered ensembles of polar molecules,
                 New Journal of Physics 17, 065014 (2015).               [pdf]

           81. J. Cui, Z. Li and R. V. Krems,
                 Collision lifetimes of polyatomic molecules at low temperatures: benzene - benzene vs benzene - rare gas atom collisions,
                 Journal of Chemical Physics 141, 164315 (2014).               [pdf] ©

           80. Z. Li, R. V. Krems and E. J. Heller,
                 Collision dynamics of polyatomic molecules containing carbon rings at low temperatures,
                 Journal of Chemical Physics 141, 104317 (2014).               [pdf] ©

           79. A. Wallis and R. V. Krems,
                 Magnetic Feshbach resonances in collisions of nonmagnetic closed-shell singlet-sigma molecules,
                 Physical Review A 89, 032716 (2014).               [pdf]

           78. M. Tomza, K. W. Madison, R. Moszynski and R. V. Krems,
                 Chemical reactions of ultracold alkali-metal dimers in the lowest-energy triplet-sigma state,
                 Physical Review A 88, 050701(R) (2013).               [pdf]

           77. J. Cui and R. V. Krems,
                 Elastic and inelastic collisions of doublet-sigma molecules in a magnetic field,
                 Physical Review A 88, 042705 (2013).               [pdf]

           76. P. Xiang, M. Litinskaya, E. A. Shapiro, and R. V. Krems,
                 Non-adiabatic control of quantum energy transfer in ordered and disordered arrays,
                 New Journal of Physics 15, 063015 (2013).               [pdf]

           75. F. Herrera, K. Madison, R. V. Krems, and M. Berciu,
                 Investigating polaron transitions with polar molecules,
                 Physical Review Letters 110, 223002 (2013).               [pdf]

           74. J. Cui and R. V. Krems,
                 Collisional decoherence of superposition states in an ultracold gas near a Feshbach resonance,
                 Physical Review A 86, 022703 (2012).               [pdf]

           73. S. V. Alyabyshev, M. Lemeshko, and R. V. Krems,
                 Sensitive imaging of electromagnetic fields with paramagnetic polar molecules,
                 Physical Review A 86, 013409 (2012).               [pdf]

           72. Y. V. Suleimanov, T. V. Tscherbul, and R. V. Krems,
                 Efficient method for quantum calculations of molecule - molecule scattering properties in a magnetic field,
                 Journal of Chemical Physics 137, 024103 (2012).               [pdf] ©

           71. M. Lemeshko, R. V. Krems, and H. Weimer,
                 Non-adiabatic preparation of spin crystals with ultracold polar molecules,
                 Physical Review Letters 109, 035301 (2012).               [pdf]

           70. P. Xiang, M. Litinskaya and R. V. Krems,
                 Tunable exciton interactions in optical lattices with polar molecules,
                 Physical Review A 85, 061401(R) (2012).               [pdf]

           69. F. Herrera and R. V. Krems,
                 Tunable Holstein model with cold polar molecules,
                 Physical Review A 84, 051401(R) (2011).               [pdf]

           68. A. O. G. Wallis and R. V. Krems,
                 Rotational predissociation of extremely weakly bound atom - molecule complexes produced by Feshbach resonance association,
                 Journal of Chemical Physics 135, 124313 (2011).               [pdf] ©

           67. Y. V. Suleimanov and R. V. Krems,
                 Efficient numerical method for locating Feshbach resonances of ultracold molecules in external fields,
                 Journal of Chemical Physics 134, 014101 (2011).               [pdf] ©

           66. J. Perez-Rios, F. Herrera, and R. V. Krems,
                 External field control of collective spin excitations in an optical lattice of doublet-Sigma molecules,
                 New Journal of Physics 12, 103007 (2010).               [pdf]

           65. F. Herrera, M. Litinskay, and R. V. Krems,
                 Tunable disorder in a crystal of cold polar molecules,
                 Physical Review A 82, 033428 (2010).               [pdf]

           64. S. V. Alyabyshev and R. V. Krems,
                 Greatly enhanced absorption of nonresonant microwave fields by ultracold molecules near a Feshbach resonance,
                 Physical Review A 82, 030702(R) (2010).               [pdf]

           63. C. J. Hemming and R. V. Krems,
                 Collisional decoherence of internal state superpositions in a trapped ultracold gas,
                 Physical Review A 81, 052701 (2010).               [pdf]

           62. T. V. Tscherbul, T. Calarco, I. Lesanovsky, R. V. Krems, A. Dalgarno, J. Schmiedmayer
                 RF-field-induced Feshbach resonances,
                 Physical Review A 81, 050701(R) (2010).               [pdf]

           61. S. V. Alyabyshev and R. V. Krems,
                 Controlling collisional spin relaxation of cold molecules with microwave laser fields,
                 Physical Review A 80, 033419 (2009).               [pdf]

           60. S. V. Alyabyshev, T. V. Tscherbul, and R. V. Krems,
                 Microwave-laser-field modification of molecular collisions at low temperatures,
                 Physical Review A 79, 060703(R) (2009).               [pdf]

           59. Z. Li and R. V. Krems,
                 Inelastic collisions in an ultracold quasi-two-dimensional gas,
                 Physical Review A 79, 050701(R) (2009).               [pdf]

           58. T. V. Tscherbul, Y. V. Suleimanov, V. Aquilanti and R. V. Krems,
                 Magnetic field modification of ultracold molecule - molecule collisions,
                 New Journal of Physics 11, 055021 (2009).               [pdf]

           57. T. V. Tscherbul, G. C. Groenenboom, R. V. Krems, and A. Dalgarno,
                 Dynamics of OH(2Pi)-He collisions in combined electric and magnetic fields
                 Faraday Discussions 142, 127 (2009).               [link to article]

           56. W. C. Campbell, T. V. Tscherbul, H.-I. Lu, E. Tsikata, R. V. Krems, and J. M. Doyle
                 Mechanism of collisional spin relaxation in triplet sigma molecules,
                 Physical Review Letters 102, 013003 (2009).               [pdf]

           55. S. E. Maxwell, M. T. Hummon, Y. Wang, A. A. Buchachenko, R. V. Krems, and J. M. Doyle,
                 Spin-orbit interaction and large inelastic rates in bismuth-helium collisions,
                 Physical Review A 78, 042706 (2008).               [pdf]

           54. T. V. Tscherbul, G. Barinovs, J. Klos, and R. V. Krems,
                 Formation of slow molecules in chemical reactions in crossed molecular beams,
                 Physical Review A 78, 022705 (2008).               [pdf]

           53. T. V. Tscherbul and R. V. Krems,
                 Quantum theory of chemical reactions in the presence of electromagnetic fields,
                 Journal of Chemical Physics 129, 034112 (2008).               [pdf] ©

           52. G. Quemener, N. Balakrishnan, and R. V. Krems,
                 Vibrational energy transfer in ultracold molecule - molecule scattering,
                 Physical Review A 77, 030704(R) (2008).               [pdf]

           51. Z. Li, S. V. Alyabyshev, and R. V. Krems,
                 Ultracold inelastic collisions in two dimensions,
                 Physical Review Letters 100, 073202 (2008).               [pdf]

           50. C. J. Hemming and R. V. Krems,
                 Multi-state Feshbach resonances mediated by high-order couplings,
                 Physical Review A 77, 022705 (2008).               [pdf]

           49. E. Abrahamsson, T. V. Tscherbul, and R. V. Krems,
                 Inelastic collisions of cold polar molecules in non-parallel electric and magnetic fields,
                 Journal of Chemical Physics 127, 044302 (2007).               [pdf] ©

           48. G. C. Groenenboom, X. Chu, and R. V. Krems,
                 Electronic anisotropy between open-shell atoms in first and second order perturbation theory,
                 Journal of Chemical Physics 126, 204306 (2007).               [pdf] ©

           47. E. Abrahamsson, G. C. Groenenboom, and R. V. Krems,
                 Spin-orbit relaxation of F and Cl in a gas of H2,
                 Journal of Chemical Physics 126, 184303 (2007).               [pdf] ©

           46. T. V. Tscherbul, J. Klos, L. Rajchel, and R. V. Krems,
                 Fine and hyperfine interactions in cold YbF-He collisions in electromagnetic fields,
                 Physical Review A 75, 033416 (2007).               [pdf]

           45. T. A. Grinev, A. A. Buchachenko, and R. V. Krems,
                 Separation of ortho- and para-Hydrogen in Van der Waals Complex Formation,
                 ChemPhysChem 8, 815 (2007).               [link to article]

           44. Z. Li and R. V. Krems,
                 Electric-field-induced Feshbach Resonances in Ultracold Alkali Metal Mixtures,
                 Physical Review A 75, 032709 (2007).               [pdf]

           43. E. Abrahamsson, R. V. Krems, and A. Dalgarno,
                 Fine Structure Excitation of O I and C I by Impact with Atomic Hydrogen,
                 Astrophysical Journal 654, 1171 (2007).               [link to article]

           42. T. V. Tscherbul and R. V. Krems,
                 Manipulating spin-dependent interactions in rotationally excited cold molecules with electric fields,
                 Journal of Chemical Physics 125, 194311 (2006).               [pdf] ©

           41. T. V. Tscherbul and R. V. Krems,
                 Controlling spin relaxation of cold molecules with electric fields,
                 Physical Review Letters 97, 083201 (2006).               [pdf]

           40. A. A. Buchachenko, G. Chalasinski, M. M. Szczesniak, and R. V. Krems
                 Ab initio Study of Tm - He Interactions and Dynamics in a Magnetic Trap,
                 Physical Review A 74, 022705 (2006).               [pdf]

           39. R. V. Krems, M. J. Jamieson, and A. Dalgarno
                 The 1D-3P Transitions in Atomic Oxygen Induced by Impact with Atomic Hydrogen,
                 Astrophysical Journal 647, 1531 (2006).               [link to article]

           38. R. V. Krems,
                 Controlling collisions of ultracold atoms with dc electric fields,
                 Physical Review Letters 96, 123202 (2006).               [pdf]

           37. R. V. Krems and A. A. Buchachenko,
                 Electronic interaction anisotropy between open-shell lanthanide atoms and helium from cold collision experiment,
                 Journal of Chemical Physics 123, 101101 (2005).               [pdf] ©

           36. Z. Pavlovic, R.V. Krems, R. Cote and H.R. Sadeghpour,
                 Magnetic Feshbach resonances and Zeeman relaxation in bosonic chromium gas with anisotropic interaction,
                 Physical Review A 71, 061402(R) (2005).               [pdf]

           35. H. Cybulski, R. V. Krems, H. R. Sadeghpour, A. Dalgarno, J. Klos, G. C. Groenenboom, A. van der Avoird, D. Zgid, and G. Chalasinski,
                 Interaction of NH(triplet Sigma) with He: Potential energy surface, bound states, and collisional Zeeman relaxation,
                 Journal of Chemical Physics 122, 094307 (2005).               [pdf] ©

           34. R. V. Krems, J. Klos, M. F. Rode, M. M. Szczesniak, G. Chalasinski, and A. Dalgarno,
                 Suppression of angular forces in collisions of non-S-state transition metal atoms,
                 Physical Review Letters 94, 013202 (2005)               [pdf]

           33. G. Barinovs, M. C. van Hermet, R. V. Krems, and A. Dalgarno,
                 Fine Structure Excitation of C+ and Si+ by Atomic Hydrogen,
                 The Astrophysical Journal 620, 537 (2005).               [link to article]

           32. C. I. Hancox, S. C. Doret, M. T. Hummon, R. V. Krems and J. M. Doyle,
                 Suppression of angular momentum transfer in cold collisions of transition metal atoms in ground states with nonzero orbtial angular momentum,
                 Physical Review Letters 94, 013201 (2005).               [pdf]

           31. R.V. Krems, D. Egorov, J. S Helton, K. Maussang, S. V. Nguyen, and J. M. Doyle,
                 Zeeman effect in CaF(2Pi),
                 Journal of Chemical Physics 121, 11639 (2004).               [pdf] ©

           30. R.V. Krems,
                 Breaking van der Waals molecules with magnetic fields,
                 Physical Review Letters 93, 013201 (2004).               [pdf]

           29. R.V. Krems, G. C. Groenenboom, and A. Dalgarno,
                 Electronic interaction anisotropy between atoms in arbitrary angular momentum states,
                 Journal of Physical Chemistry 108, 8941 (2004).               [link to article]

           28. R.V. Krems and A. Dalgarno,
                 Quantum mechanical theory of atom - molecule and molecular collisions in a magnetic field: Spin depolarization,
                 Journal of Chemical Physics 120, 2296 (2004).               [pdf] ©
                 

           27. R.V. Krems, H. R. Sadeghpour, A. Dalgarno, D. Zgid, J. Klos, G. Chalasinski,
                 Low-temperature collisions of NH(X3Sigma) molecules with He atoms in a magnetic field: An ab initio study,
                 Physical Review A 68, 051401(R) (2003).               [pdf]
                 

           26. R.V. Krems and A. Dalgarno,
                 Disalignment transitions in cold collisions of 3P atoms with structureless targets in a magnetic field,
                 Physical Review A 68, 013406 (2003).               [pdf]
                 

           25. R.V. Krems, A. Dalgarno, N. Balakrishan and G. C. Groenenboom,
                 Spin-flipping transitions in doublet-sigma molecules induced by collisions with structureless atoms,
                 Physical Review A 67, 060703(R) (2003).               [pdf]
                 

           24. R.V. Krems and A. Dalgarno,
                 Threshold Laws for Collisional Reorientation of Electronic Angular Momentum,
                 Physical Review A 67, 050704(R) (2003).               [pdf]
                 

           23. N. Balakrishnan, G. C. Groenenboom, R. V. Krems, and A. Dalgarno,
                 The He - CaH(2Sigma) Interaction: II. Collisions at Cold and Ultracold Temperatures,
                 Journal of Chemical Physics 118, 7386 (2003).               [pdf] ©
                 

           22. R.V. Krems, D. Zgid, G. Chalasinski, J. Klos, and A. Dalgarno,
                 On the Possibility of Buffer Gas Cooling of Paramagnetic Carbon to Ultracold Temperatures,
                 Physical Review A 66, 030702(R) (2002).               [pdf]

           21. A.A. Buchachenko, N.F. Stepanov, R.V. Krems and S. Nordholm,
                 Vibrational Predissociation of ArHF: A Test of Global Semiempirical Potential Energy Surfaces,
                 Physical Chemistry Chemical Physics 4, 4992 (2002).               [link to article]

           20. C. Zhu, R. Krems, A. Dalgarno, and N. Balakrishnan,
                 Chemistry of Hydrogen Fluoride in the Interstellar Medium,
                 Astrophysical Journal 577, 795 (2002).               [link to article]

           19. R.V. Krems and A. Dalgarno,
                 Shape Resonances and Non-adiabatic Dynamics in O(3Pj) + He Collisions at Cold and Ultracold Temperatures,
                 Physical Review A 66, 012702 (2002).               [pdf]
                 

           18. R.V. Krems, A.A. Buchachenko, N. Markovic, and S. Nordholm,
                 Resonance and Reversibility of Vibrational Realxation of HF in High Temperature Ar Bath Gas,
                 Journal of Chemical Physics 117, 166 (2002).               [pdf] ©
                 

           17. R.V. Krems and A. Dalgarno,
                 Electronic and rotational energy transfer in F + H2 collisions at ultracold temperatures,
                 Journal of Chemical Physics 117, 118 (2002).               [pdf] ©
                 

           16. J. Klos, G. Chalasinski, M.M. Szczesniak, R.V. Krems, A.A. Buchachenko, V. Aquilanti, F. Pirani, D. Cappelletti,
                 Ab initio potentials for the S(3P) - Rg dimers: Implementation for Elastic and Inelastic Collisions and Comparison with Scattering Potentials,
                 Journal of Chemical Physics 116, 9269 (2002).               [pdf] ©
                 

           15. R.V. Krems,
                 Vibrational Relaxation of Vibrationally and Rotationally Excited CO Molecules by He Atoms,
                 Journal of Chemical Physics 116, 4517 (2002).               [pdf] ©
                 

           14. R.V. Krems,
                 Vibrational Relaxation in CO + He Collisions: Sensitivity to Interaction Potential and Details of Quantum Calculations,
                 Journal of Chemical Physics 116, 4525 (2002).               [pdf] ©
                 

           13. R.V. Krems, A.A. Buchachenko, M.M. Szczesniak, J. Klos, and G. Chalasinski,
                 Dynamics of O + Rg collisions on ab initio and scattering potentials,
                 Journal of Chemical Physics 116, 1457 (2002).               [pdf] ©
                 

           12. R.V. Krems and S. Nordholm,
                 Projection-reduced Close Coupling Calculations of Cross Sections for Vibrational Relaxation in Collisions of Diatomic Molecules with Atoms,
                 Journal of Chemical Physics 115, 10581 (2001).               [pdf] ©
                 

           11. M.P. de Lara-Castells, R.V. Krems, A.A. Buchachenko, G. Delgado-Barrio, and P. Villarreal,
                 Complete Basis Set Extrapolation Limit for Electronic Structure Calculations: Energetic and Nonenergetic Properties of HeBr and HeBr2 van der Waals dimers,
                 Journal of Chemical Physics 115, 10438 (2001).               [pdf] ©
                 

           10. R.V. Krems and A.A. Buchachenko,
                 Ultracold Inelastic Atomic Collisions: Thershold Relaxation of O(3P0) by He,
                 Physical Review A 64, 024704 (2001).               [pdf]
                 

           9. R.V. Krems and S. Nordholm,
                 Vibrational and Rotational Energy Transfer in Collisions of Vibrationally excited HF Molecules with Ar atoms,
                 Journal of Chemical Physics 115, 9919 (2001).               [pdf] ©
                 

           8. A.A. Buchachenko, R.V. Krems, M.M. Szczesniak, Y.-D. Xiao, L.A. Viehland, and G. Chalasinski,
                 Collision and transport properties of Rg+Cl (2P) and Rg+Cl-(1S) (Rg=Ar,Kr) from ab initio potentials,
                 Journal of Chemical Physics 114, 9919 (2001).               [pdf] ©
                 

           7. R.V. Krems, A.A. Buchachenko, N. Markovic, and S. Nordholm,
                 On the Role of Interaction Anisotropy in Vibrational Relaxation of HF and HCl by Ar,
                 Chemical Physics Letters 335, 273 (2001).               [link to article]

           6. H. Svedung, R.V. Krems, N. Markovic, and S. Nordholm,
                 Pair-Potential Model for Simulation of Collisional Energy Transfer - Quantum Effects and Hardness Dependence,
                 Physical Chemistry Chemical Physics 3, 2216 (2001).               [link to article]

           5. R.V. Krems, N. Markovic, A.A. Buchachenko, and S. Nordholm,
                 Quantum Mechanical Study of Vibrational Relaxation of HF in Collisions with Ar atoms,
                 Journal of Chemical Physics 114, 1249 (2001).               [pdf] ©
                 

           4. R.V. Krems and A.A. Buchachenko,
                 Quantum and Semiclassical Study of Intramultiplet Transitions in Collisions of Cl(2P) and O(3P) with He, Ne, and Xe,
                 Journal of Physics B 33, 4551 (2000).              

           3. R. Krems and S. Nordholm,
                 A Thermodynamic Method of Estimating Anharmonic Molecular Densities of States,
                 Zeitschrift fur Physikalische Chemie 214, 1467 (2000).               [link to article]

           2. A.E. Cardenas, R.V. Krems, and R.D. Coalson,
                 Semiclassical Wavepacket Dynamics with Electronic Structure Computed on the Fly: Application to Photophysics of Electronic Excited States in Condensed Phase,
                 Journal of Physical Chemistry 103, 9469 (1999).               [link to article]
                 

           1. R.Burcl, R.V. Krems, A.A. Buchachenko, M.M. Szczesniak, G. Chalasinski, and S.M. Cybulski,
                 RG + CL(2P) (RG=He,Ne,Ar) interactions: Ab initio potentials and collision properties,
                 Journal of Chemical Physics 109, 2144 (1998).               [pdf] ©
                 








    Review articles

          
                 
  • M. Lemeshko, R. V. Krems, J. Doyle, and S. Kais,
                 Manipulation of Molecules with Electromagnetic Fields,
                 Molecular Physics 111, 1648 (2013).               [link to article]
          
  • L. Carr, D. DeMille, R. V. Krems, and J. Ye,
                 Cold and Ultracold Molecules: Science, Technology, and Applications,
                 New Journal of Physics 11, 055049 (2009).               [pdf]
          
  • R. V. Krems,
                 Molecules near absolute zero and external field control of atomic and molecular dynamics,
                 International Reviews in Physical Chemistry 24, 99 (2005).               [link to article]
          
  • J. Doyle, B. Friedrich, R. V. Krems, and F. Masnou-Seeuws,
                 Quo vadis, cold molecules? - Editorial review,
                 European Physical Journal D 31, 149 (2004).               [link to article]







  • Commentaries
          
                 
  • R. V. Krems,
                 Ultracold Controlled Chemistry
                 Physics 3, 10 (2010).               [pdf]
          
  • R. V. Krems,
                 News & Views: Set for Collision Course,
                 Nature Physics 3, 77 (2007).               [link to article]







  • Books

          
                 
  • R. V. Krems,
                 Molecules in Electromagnetic Fields: from Ultracold Physics to Controlled Chemistry,
                 Wiley (2018).              
                        
  • R. V. Krems, W. C. Stwalley, and B. Friedrich (eds),
                 Cold Molecules: Theory, Experiment, Applications,
                 CRC Press, Boca Raton, Florida (2009).              
                 







  • Book reviews

          

           1. R. V. Krems,
                 Review of Advances in Chemical Physics, Vol. 140, edited by S. Rice,
                 Journal of the American Chemical Society 131, 4167 (2009).              
                 








    Chapters in books

          

           6. R. V. Krems
                 "Effects of Electromagnetic Fields on Molecular Scattering",
                 in P. Brumer (ed.), Advances in Chemical Physics 159, Chicago (2016).              
                 

           5. M. Litinskaya and R. V. Krems
                 "Rotational excitations of polar molecules on an optical lattice: from novel exciton physics to quantum simulation of new lattice models",
                 in K. W. Madison, Y. Wang, A. M. Rey, and K. Bongs (eds.), Annual Review of Cold Atoms and Molecules vol. 1, Wolrd Scientific, London (2013).              
                 

           4. R. V. Krems
                 "Quantum theory of atomic and molecular scattering based on the fully uncoupled space-fixed representation",
                 in J. F. Babb, K. Kirby, and H. Sadeghpour (eds.), Proceedings of the Dalgarno Celebratory symposium, Imperial College Press, London (2009).              
                 

           3. T. V. Tscherbul and R. V. Krems
                 "Effects of external electromagnetic fields on collisions of molecules at low temperatures",
                 in R. V. Krems, W. C. Stwalley, and B. Friedrich (eds.), Cold Molecules: Theory, Experiment, Applications, CRC Press, Boca Raton, Florida (2009).              
                 

           2. R.V. Krems and A. Dalgarno,
                 "Collisions of atoms and molecules in external magnetic fields",
                 Fundamental World of Quantum Chemistry, chapter 14, Vol. 3, pp. 273-294, eds: E. Kryachko and E. Brandas (Kluwer 2004).               [preprint]
                 

           1. R.V. Krems,
                 "Chemical reactions and inelastic collisions of atoms and molecules at cold and ultracold temperatures",
                 in Recent Research Developments in Chemical Physics,
                 Vol. 3 part II, pp. 485-500 (2002). ISBN: 81-7895-066-9               [preprint]
                 






    Invited talks (since 2003)



           110. Six hours of lectures at the graduate school on "Machine Learning in Quantum Physics and Chemistry", Warsaw, Poland (25-27 August 2021)

           109. TRIUMF Summer Institute Virtual School, Conrnerstone Models of Quantum Computing, TRIUMF, Vancouver (13 August 2021)

           108. New Opportunities for Fundamental Physics Research with Radioactive Molecules Workshop (Virtual Meeting), MIT, Cambridge (1 July 2021)

           107. IRTG Seminar (Virtual), Department of Physics, Freiburg University, Germany (2 Feberuary 2021)

           106. AMO Physics Seminar (Virtual), Department of Physics, University of Delaware (11 November 2020)

           105. Physics Department Colloquium (Virtual), University of Victoria (30 September 2020)

           104. American Chemical Society Fall 2020 Virtual Meeting (18 August 2020)

           103. Third QuantumBC virtual seminar and panel discussion (9 June 2020)

           102. 52nd Annual Meeting of the APS Division of Atomic, Molecular and Optical Physics (DAMOP), Portland (Virtual) (2 June 2020)

           101. Retreat at the Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, Austria (25 October 2019)

           100. Research seminar at the Stewart Blusson Quantum Matter Institute, Vancouver, Canada (5 September 2019)

           99. Banff International Research Station workshop on Charge and Energy Transfer Processes: Open Problems in Open Quantum Systems, Banff, Canada (21 August 2019)

           98. Gordon Research Conference on Quantum Control of Light and Matter, Newport, United States (11 August 2019)

           97. 3d UBC - Tsinghua research symposium, Tsinghua University, Beijing, China (13 June 2019)

           96. Workshop on "Developing High-Dimensional Potential Energy Surfaces -- From the Gas Phase to Materials", Gottingen, Germany (26 April 2019)

           95. Physics department colloquium, University of Kassel, Kassel, Germany (25 April 2019)

           94. ICICS/SBQMI Workshop on Gate-based quantum computer applications, University of British Columbia, Vancouver, Canada (21 February 2019)

           93. Chemistry department seminar at the University of Sherbrooke, Sherbrooke, Canada (23 January 2019)

           92. Seminar at the Institute for Science and Technology, Vienna, Austria (11 August 2018)

           91. 5th Annual Conference of IRTG CoCo, Freiburg, Germany (24 July 2018)

           90. 28th Canadian Symposium on Theoretical and Computational Chemistry, Windsor, Ontario (18 July 2018)

           89. Sagamore Conference on Quantum Crystallography, Halifax, NS (13 July 2018)

           88. Workshop on Developing Flexible and Robust Software in Computational Atomic and Molecular Physics, ITAMP, Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (15 May 2018)

           87. International Workshop on Atomic Physics, Dresden, Germany (1 December 2017)

           86. Physical Chemistry Seminar, University of California, Los Angeles (20 November 2017)

           85. 100th Canadian Chemistry Conference, Toronto (30 May 2017)

           84. Research Seminar at Beijing University, Beijing, China (10 May 2017)

           83. 1st UBC-Tsinghua Joint Symposium on Frontiers of Chemical Science, Tsinghua University, Beijing, China (8 May 2017)

           82. 252nd American Chemical Society Conference, Philadelphia (21 August 2016)

           81. CoCoMo IRTG Conference, Freiburg, Germany (3 August 2016)

           80. Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXI), Vancouver, UBC (5 July 2016)

           79. Day Symposium on Cold Molecules at ITAMP, Harvard-Smithsonian Center for Astrophysics (31 May 2016)

           78. Workshop on Alternative Methods for Quantum Chemical Dynamics, University of Georgia, Athens, Georgia (20 May 2016)

           77. Physics Colloquium at the University of Nevada, Reno (8 April 2016)

           76. Conference on Computational Methods in Science and Engineering, Athens, Greece (19 March 2016)

           75. Conference on Cold Controled Molecules and Ions, Weizmann Institute, Rehovot, Israel (16 March 2016)

           74. TRIUMF Colloquium, TRIUMF, Vancouver (10 March 2016)

           72-73. Reseacrh seminars at the Dalien Institute for Chemical Physics, Chinese Academy of Sciences, Dalien, China (23 - 24 Feb 2016)

           71. The 2015 International Chemical Congress of Pacific Basin Societies, Honolulu, Hawaii (20 December 2015)

           70. Innaugural conference of the International Research Training Group CoCo (Cold Controlled Enesembles in Chemistry and Physics), UBC (29 July 2015)

           69. Chemistry Department Colloquium, University of Warsaw, Warsaw, Poland (18 December 2014)

           68. Coherence and Control in the Quantum World: Current and Future Trends, Weizmann Institute of Science, Rehovot, Israel (15 December 2014)

           67. Symposium on Science at ITAMP, Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (5 May 2014)

           66. Lectures in Modern Chemistry, UBC, Vancouver (28 November 2013)

           65. Okazaki Conference on Coherent and Incoherent Wavepacket Dynamics, Okazaki, Japan (30 October 2013)

           64. Peter Wall Institute Colloquium, UBC, Vancouver (6 August 2013)

           63. Keith Laidler Award Lecture, 96th Canadian Chemistry Conference, Quebec City, Quebec (27 May 2013)

           62. Centre for Quantum Information and Quantum Control Seminar, University of Toronto, Toronto (17 May 2013)

           61. Physics Department Colloquium, University of Connecticut, Storrs, Connecticut (3 February 2012)

           60. Two lectures at the Winter Graduate School on AMO Physics, The University of Arizona - Biosphere 2, Tucson, AZ (10 and 12 January 2012)

           59. The 42nd Winter Colloquium on Physics of Quantum Electronics, Snowbird, Utah (5 January 2012)

           58. Workshop on Atomic Physics with focus on Quantum Aggregates, Dresden, Germany (25 November 2011)

           57. National Institute for Theoretical Physics Workshop on Ultracold Molecules, Stellenbosch, South Africa (10 November 2011)

           56. Workshop on Engineering and Control of Quantum Systems, Dresden, Germany (10 October 2011)

           55. Seminar at the Fritz Haber Institute of the Max Planck Society, Berlin, Germany (15 September 2011)

           54. Seminar at the Institute for Fundamental Physics, Consejo Superior de Investigaciones Cientificas, Madrid (12 September 2011)

           53. Workshop on Coherence and Decoherence at Ultracold Temperatures, Munich, Germany (8 September 2011)

           52. Physical Chemistry Seminar at Goteborg University, Goteborg, Sweden (18 February 2011)

           51. Chemistry Department Seminar at Goteborg University, Goteborg, Sweden (17 February 2011)

           50. Seminar at the Institute for Theoretical Atomic, Molecular and Optical Physics, Cambridge, Massachusetts (10 February 2011)

           49. Pacifichem 2010 - The International Chemical Congress of the Pacific Basin Societies, Honolulu, Hawaii (15 December 2010)

           48. The 2010 Frontiers in Optics/Laser Science XXVI Conference of the American Physical Society, Rochester, NY (26 October 2010)

           47. 17th Canadian Symposium on Theoretical Chemistry, Edmonton, Alberta (28 July 2010)

           46. 30th CNLS Annual Conference: Complexity and Disorder at Ultralow Temperatures, Santa Fe, New Mexico (22 June 2010)

           45. 93d Candian Chemistry Conference, Toronto, Ontario (30 May 2010)

           44. Workshop on Coherence in Ultracold Molecular Physics, UBC, Vancouver (23 May 2010)

           43. March Meeting of the American Physical Society, Portland, Oregon (16 March 2010)

           42. Workshop on Weakly Bound Systems in Atomic and Nuclear Physics, Seattle, Washington (10 March 2010)

           41. 40th Colloqium on Physics of Quantum Electronics, Snowbird, Utah (3 January 2010)

           40. 25th Symposium on Chemical Physics, University of Waterloo, Waterloo, Ontario (8 November 2009)

           39. Colorado Cold Molecule Workshop, Boulder, Colorado (15 July 2009)

           38. Gordon Conference on Atomic Physics, Tilton, New Hampshire (30 June 2009)

           37. 10th International Workshop on Quantum Reactive Scattering, Dalian, China (9 June 2009)

           36. 7th Herbert Jones Memorial Seminar, NSF-CREST Center for Astrophysical Science and Technology, Florida A&M University, Tallahassee, Florida (18 April 2009)

           35. Combined Chemistry/Physics Colloquim, University of Nevada, Reno (10 April 2009)

           34. Chemistry Department Seminar, UBC Okanagan, Kelowna (24 February 2009)

           33. TRIUMF Saturday Morning Lecture Series on Quantum Physics and Chemistry, TRIUMF, Vancouver (14 February 2009)

           32. Lectures in Modern Chemistry, Department of Chemistry, University of British Columbia (4 October 2008)

           31. Dalgarno Celebratory Symposium on Atomic and Molecular Physics and Astrophysics, Radcliffe College, Harvard University (12 September 2008)

           30. 39th Annual Meeting of the Division of Atomic, Molecular, and Optical Physics of the American Physical Society (DAMOP08), State College, Pennsylvania (31 May 2008)

           29. AMO Physics Seminar, University of Granada, Granada, Spain (10 April 2008)

           28. Keynote Talk, EuroQUAM Inauguration Conference, Barcelona, Spain (08 April 2008)

           27. Batsheva de Rothschild Seminar on Ultrafast-Ultracold Processes, Ein Gedi, Israel (28 Feb 2008)

           26. Condensed Matter and Atomic Physics Seminar, University of Washington, Washington, Seattle (15 January 2008)

           25. Telluride Workshop on "New Challenges for Theory in Chemical Dynamis", Tewlluride, Colorado (9 January 2008)

           24. Lunch Talk for the associates of the Peter Wall Institute for Advanced Studies, UBC, Vancouver (14 November 2007)

           23. M.I.T.-Harvard Center for Ultracold Atoms Seminar, Harvard University, Cambridge, Massachusetts (9 October 2007)

           22. Retreat of Early Career Scholars at the Peter Wall Institute for Advanced Studies, UBC, Vancouver (21 Septempber 2007)

           21. COMET XX - 20th International Conference on Molecular Energy Transfer, Arcachon, France (4 June 2007)

           20. KITP Conference on "Correlated States in Degenerate Atomic Gases", Santa Barbara, California (27 April 2007)

           19. Workshop on "Quantum Dynamics of Ultracold Few-Body Systems", Cuernavaca, Mexico (12 March 2007)

           18. Seminar at the Institute for Quantum Optics and Quantum Information, University of Innsbruck, Innsbruck (8 January 2007)

           17. The 379. Wilhelm und Else Heraeus-Seminar on Cold Molecules, Bad Honnef, Germany (30 October 2006)

           16. VIth Canadian Conference on Computational Chemistry (CCCC6), Vancouver (29 July 2006)

           15. Workshop on "Intermolecular Interactions: New Challenges to Ab Initio Theory", Telluride, Colorado (27 June 2006)

           14. Workshop on "Correlated and Many-Body Phenomena in Dipolar Systems", Dresden, Germany (1 June 2006)

           13. Chemistry Department Colloquium, University of Montana in Missoula, Montana (3 April 2006)

           12. Workshop on ``Achievements and Perspectives of Cold Molecules", Les Houches, France (8 March 2006)

           11. Physics Department Seminar, University of Nevada in Las Vegas, Nevada (17 February 2006)

           10. Theoretical Physics Seminar, Los Alamos National Laboratory, Los Alamos, New Mexico (15 February 2006)

           9. AMO Physics Seminar, University of British Columbia, Vancouver (26 January 2006)

           8. Telluride workshop on "Theory of ultracold molecules", Telluride, Colorado (6 July 2005)

           7. AMO Physics seminar, Department of Physics, Yale University, New Haven, CT (1 June 2005)

           6. Joint Atomic Physics Colloqium, Department of Physics, Harvard University, Cambridge, MA (20 April 2005)

           5. AMO Physics Seminar, Department of Physics, University of Connecticut, Sorrs, Connecticut (February 2005)

           4. Theoretical Chemistry Seminar, Department of Chemistry, University of British Columbia, Vancouver, Canada (January 2005)

           3. Division of Atomic, Molecular and Optical Physics (DAMOP) conference in Tucson, AZ (May 2004)

           2. Workshop on ``Ultracold Polar Molecules: Formation and Collisions", Cambridge, MA (January 2004)

           1. Workshop on ``Dynamics on Multiple surfaces" in Telluride, CO (July 2003)