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Journal of Computational Chemistry|August 9, 2011
Exact and efficient calculation of Lagrange multipliers in biological polymers with constrained bond lengths and bond angles: proteins and nucleic acids as example casesPablo García-Risueño, Pablo Echenique, J L AlonsoPlos One|December 7, 2017
Correction: An Exact Expression to Calculate the Derivatives of Position-Dependent Observables in Molecular Simulations with Flexible ConstraintsPablo Echenique, Claudio N Cavasotto, Monica De Marco, et al.Physical Chemistry Chemical Physics : PCCP|July 10, 2024
Electron-vibrational renormalization in fullerenes through <i>ab initio</i> and machine learning methodsPablo García-Risueño, Eva Armengol, Àngel García-Cerdaña, et al.Journal of Computational Chemistry|November 20, 2013
A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculationsPablo García-Risueño, Joseba Alberdi-Rodriguez, Micael J T Oliveira, et al.Journal of Chemical Theory and Computation|September 4, 2025
ILVES: Accurate and Efficient Bond Length and Angle Constraints in Molecular DynamicsLorién López-Villellas, Carl Christian Kjelgaard Mikkelsen, Juan José Galano-Frutos, et al.Pageof 1