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Mario Fernández-Pendás
Mario Fernández-Pendás
Postdoc Fellow, BCMaterials
Dirección de correo verificada de bcmaterials.net - Página principal
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Adaptive multi-stage integrators for optimal energy conservation in molecular simulations
M Fernández-Pendás, E Akhmatskaya, JM Sanz-Serna
Journal of Computational Physics 327, 434-449, 2016
252016
A study of the performance of classical minimizers in the quantum approximate optimization algorithm
M Fernández-Pendás, EF Combarro, S Vallecorsa, J Ranilla, IF Rúa
Journal of Computational and Applied Mathematics 404, 113388, 2022
222022
Adaptive splitting integrators for enhancing sampling efficiency of modified Hamiltonian Monte Carlo methods in molecular simulation
E Akhmatskaya, M Fernández-Pendás, T Radivojević, JM Sanz-Serna
Langmuir 33 (42), 11530-11542, 2017
222017
Constant pressure hybrid Monte Carlo simulations in GROMACS
M Fernández-Pendás, B Escribano, T Radivojević, E Akhmatskaya
Journal of molecular modeling 20, 1-10, 2014
192014
Multi-stage splitting integrators for sampling with modified Hamiltonian Monte Carlo methods
T Radivojević, M Fernández-Pendás, JM Sanz-Serna, E Akhmatskaya
Journal of Computational Physics 373, 900-916, 2018
132018
Enhancing sampling in atomistic simulations of solid-state materials for batteries: a focus on olivine
B Escribano, A Lozano, T Radivojević, M Fernández-Pendás, J Carrasco, ...
Theoretical Chemistry Accounts 136 (4), 43, 2017
132017
AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA)
A Ganguly, HC Tsai, M Fernández-Pendás, TS Lee, TJ Giese, DM York
Journal of Chemical Information and Modeling 62 (23), 6069-6083, 2022
112022
Multiscale modelling and simulation of advanced battery materials
MR Bonilla, FA García Daza, M Fernández-Pendás, J Carrasco, ...
Progress in Industrial Mathematics: Success Stories: The Industry and the …, 2021
42021
An arithmetic Poisson formula for the multi-variate resultant
M Fernández, LM Pardo
Journal of Complexity 29 (5), 323-350, 2013
42013
Synthesis of monodisperse spherical nanocrystals
R Bacsa, W Bacsa, MC Schwarzwälder, V Cregan, M Fernández-Pendás, ...
ESGI report, Centre de Recerca Matematica, Barcelona, 2016
12016
Adaptive multi-stage integration schemes for Hamiltonian Monte Carlo
L Nagar, M Fernández-Pendás, JM Sanz-Serna, E Akhmatskaya
Journal of Computational Physics 502, 112800, 2024
2024
Adapting Hybrid Monte Carlo methods for solving complex problems in life and materials sciences
M Fernández-Pendás
2018
Some metric aspects in algebraic geometry, on the average
M Fernández Pendás
2012
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
Artículos 1–13