Luis Itza Vazquez-Salazar (Luis I Vazquez-Salazar)

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 9

Top Topics

Molecular Docking

Top Venues

Science advances

Digital discovery

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

Karl P Horn, Luis Itza Vazquez-Salazar, Christiane P Koch, Markus Meuwly
Improving potential energy surfaces using measured Feshbach resonance states. Science advances 10 (9) (2024)
Karl P Horn, Luis Itza Vazquez-Salazar, Christiane P Koch, Markus Meuwly
Improving potential energy surfaces using measured Feshbach resonance states. Science advances 10 (9) (2024)
Wonmuk Hwang, Steven L Austin, Arnaud Blondel, Eric D Boittier, Stefan Boresch, Matthias Buck, Joshua Buckner, Amedeo Caflisch, Hao-Ting Chang, Xi Cheng, Yeol Kyo Choi, Jhih-Wei Chu, Michael F Crowley, Qiang Cui, Ana Damjanovic, Yuqing Deng, Michael Devereux, Xinqiang Ding, Michael F Feig, Jiali Gao, David R Glowacki, James E Gonzales, Mehdi Bagerhi Hamaneh, Edward D Harder, Ryan L Hayes, Jing Huang, Yandong Huang, Phillip S Hudson, Wonpil Im, Shahidul M Islam, Wei Jiang, Michael R Jones, Silvan Käser, Fiona L Kearns, Nathan R Kern, Jeffery B Klauda, Themis Lazaridis, Jinhyuk Lee, Justin A Lemkul, Xiaorong Liu, Yun Lyna Luo, Alexander D MacKerell, Dan Thomas Major, Markus Meuwly, Kwangho Nam, Lennart Nilsson, Victor Ovchinnikov, Emanuele Paci, Soohyung Park, Richard W Pastor, Amanda R Pittman, Carol Beth Post, Samarjeet Prasad, Jingzhi Pu, John Z H Zhang, Thenmalarchelvi Rathinavelan, Daniel R Roe, Benoı T Roux, Christopher N Rowley, Jana Shen, Andrew C Simmonett, Alexander J Sodt, Kai Töpfer, Meenu Upadhyay, Arjan van der Vaart, Luis Itza Vazquez-Salazar, Richard M Venable, Luke C Warrensford, H Lee Woodcock, Yujin Wu, Charles L Brooks Iii, Bernard R Brooks, Martin Karplus
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. The journal of physical chemistry. B (2024)
Taija L Fischer, Margarethe Bödecker, Sophie M Schweer, Jennifer Dupont, Valéria Lepère, Anne Zehnacker-Rentien, Martin A Suhm, Benjamin Schröder, Tobias Henkes, Diego M Andrada, Roman M Balabin, Haobam Kisan Singh, Himangshu Pratim Bhattacharyya, Manabendra Sarma, Silvan Käser, Kai Töpfer, Luis Itza Vazquez-Salazar, Eric D Boittier, Markus Meuwly, Giacomo Mandelli, Cecilia Lanzi, Riccardo Conte, Michele Ceotto, Fabian Dietrich, Vicente Cisternas, Ramachandran Gnanasekaran, Michael F A Hippler, Mahmoud Jarraya, Majdi Hochlaf, Narasimhan Viswanathan, Thomas Nevolianis, Gabriel Rath, Wassja A Kopp, Kai Leonhard, Ricardo A Mata
The first HyDRA challenge for computational vibrational spectroscopy. Physical chemistry chemical physics : PCCP 25 (33) (2023)
Kaisheng Song, Silvan Käser, Kai Töpfer, Luis Itza Vazquez-Salazar, Markus Meuwly
PhysNet meets CHARMM: A framework for routine machine learning/molecular mechanics simulations. The Journal of chemical physics 159 (2) (2023)
Luis Itza Vazquez-Salazar, Eric D Boittier, Markus Meuwly
Uncertainty quantification for predictions of atomistic neural networks. Chemical science 13 (44) (2022)
Silvan Käser, Luis Itza Vazquez-Salazar, Markus Meuwly, Kai Töpfer
Neural network potentials for chemistry: concepts, applications and prospects. Digital discovery 2 (1) (2022)
Silvan Käser, Luis Itza Vazquez-Salazar, Markus Meuwly, Kai Töpfer
Neural network potentials for chemistry: concepts, applications and prospects. Digital discovery 2 (1) (2022)
Luis Itza Vazquez-Salazar, Eric D Boittier, Oliver T Unke, Markus Meuwly
Impact of the Characteristics of Quantum Chemical Databases on Machine Learning Prediction of Tautomerization Energies. Journal of chemical theory and computation 17 (8) (2021)