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Doctoral Student
Area of Study/Expertise
Exact Factorization Approach for Non-Adiabatic Dynamics

Evaristo Villaseco Arribas

Doctoral Student


  • B.Sc. Chemistry. Universidad de Salamanca (Salamanca, Spain)
  • M.Sc. Theoretical Chemistry and Computational Modeling. Universidad Autónoma de Madrid (Madrid, Spain)


  • Force fields for molecular modeling of sarin and its simulants: DMMP and DIMP. A. Emelianova, E. A. Basharova, A. L. Kolesnikov, E. Villaseco Arribas, E. V. Ivanova and G. Y. Gor. J. Phys. Chem. B 2021, 125, 16, 4086-4098
  • Poly (lactic-co-glycolic acid) encapsulated platinum nanoparticles for cancer treatment. A.L. Ruiz, E. Villaseco Arribas and K. McEnnis. Mater. Adv., 2022, 3, 2858-2870
  • Exact Factorization adventures: A promising approach for non-bound states. E. Villaseco Arribas, F. Agostini and N. T. Maitra. Molecules 2022, 27 (13), 4002
  • Energy-conserving coupled trajectory mixed quantum-classical dynamics,  E. Villaseco Arribas and N. T. Maitra, J.Chem. Phys. 158, 161105 (2023)
  • Different Flavors of Exact-Factorization-Based Mixed Quantum-Classical Methods, E. Villaseco Arribas, P. Vindel Zandbergen, S. Roy, and N. T. Maitra,  Phys. Chem. Chem. Phys. 25, 26380(2023)
  • Significance of energy conservation in coupled-trajectory approaches to non-adiabatic dynamics, E. Villaseco Arribas, L. M. Ibele, D. Lauvergnat, N. T. Maitra, F. Agostini, J. Chem. Theory and Comput. (2023)
  • Nonadiabatic dynamics with classical trajectories: The problem of an initial coherent superposition of electronic states., E. Villaseco Arribas, N. T. Maitra and F. Agostini (2023), J. Chem. Phys. 160, 054102 (2024)
  • Exact-factorization study of the photochemistry of phenol., A. Pollien, E. Villaseco Arribas, D. Lauvergnat and F. Agostini (2024), ChemRXiv version