| Recent advances in first-principles based molecular dynamics F Mouvet, J Villard, V Bolnykh, U Rothlisberger Accounts of Chemical Research 55 (3), 221-230, 2022 | 54 | 2022 |
| Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder J Villard, MP Bircher, U Rothlisberger Chemical Science 15 (12), 4434-4451, 2024 | 8 | 2024 |
| Efficient treatment of correlation energies at the basis-set limit by Monte Carlo summation of continuum states MP Bircher, J Villard, U Rothlisberger Journal of chemical theory and computation 16 (10), 6550-6559, 2020 | 4 | 2020 |
| Plane waves versus correlation-consistent basis sets: A comparison of MP2 non-covalent interaction energies in the complete basis set limit J Villard, MP Bircher, U Rothlisberger Journal of Chemical Theory and Computation 19 (24), 9211-9227, 2023 | 3 | 2023 |
| Surrogate based genetic algorithm method for efficient identification of low-energy peptide structures J Villard, M Kılıç, U Rothlisberger Journal of Chemical Theory and Computation 19 (3), 1080-1097, 2023 | 3 | 2023 |
| Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches J Villard EPFL, 2023 | | 2023 |
