Luis Itza Vazquez-Salazar
Affiliations: |
Area:
Quantum Chemistry, Molecular DynamicsWebsite:
https://livazquezs.github.io/Google:
"Luis Itza Vazquez-Salazar"Parents
Sign in to add mentor| Alejandro Pisanty | research assistant | 2015-2017 | Facultad de Química UNAM |
| Shirin Faraji | grad student | 2017-2019 | RUG |
| Siewert Jan Marrink | grad student | 2017-2019 | RUG |
| Markus Meuwly | grad student | 2019-2024 | University of Basel |
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Publications
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| Hwang W, Austin SL, Blondel A, et al. (2024) CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. The Journal of Physical Chemistry. B |
| Horn KP, Vazquez-Salazar LI, Koch CP, et al. (2024) Improving potential energy surfaces using measured Feshbach resonance states. Science Advances. 10: eadi6462 |
| Song K, Käser S, Töpfer K, et al. (2023) PhysNet meets CHARMM: A framework for routine machine learning/molecular mechanics simulations. The Journal of Chemical Physics. 159 |
| Käser S, Vazquez-Salazar LI, Meuwly M, et al. (2022) Neural network potentials for chemistry: concepts, applications and prospects. Digital Discovery. 2: 28-58 |
| Vazquez-Salazar LI, Boittier ED, Meuwly M. (2022) Uncertainty quantification for predictions of atomistic neural networks. Chemical Science. 13: 13068-13084 |
| Töpfer K, Pasti A, Das A, et al. (2022) Structure, Organization, and Heterogeneity of Water-Containing Deep Eutectic Solvents. Journal of the American Chemical Society. 144: 14170-14180 |
| Vazquez-Salazar LI, Boittier ED, Unke OT, et al. (2021) Impact of the Characteristics of Quantum Chemical Databases on Machine Learning Prediction of Tautomerization Energies. Journal of Chemical Theory and Computation |