Felix Aviat

Felix Aviat

National Institutes of Health - Bethesda / United States
Others
AD Scientific Index ID: 4890638
person_outline Felix Aviat's MOST POPULAR ARTICLES
1-) Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fieldsL Lagardère, LH Jolly, F Lipparini, F Aviat, B Stamm, ZF Jing, M Harger, ...Chemical science 9 (4), 956-972, 20181642018
2-) Truncated conjugate gradient: an optimal strategy for the analytical evaluation of the many-body polarization energy and forces in molecular simulationsF Aviat, A Levitt, B Stamm, Y Maday, P Ren, JW Ponder, L Lagardère, ...Journal of chemical theory and computation 13 (1), 180-190, 2017462017
3-) Pushing the limits of multiple-time-step strategies for polarizable point dipole molecular dynamicsL Lagardere, F Aviat, JP PiquemalThe journal of physical chemistry letters 10 (10), 2593-2599, 2019402019
4-) The truncated conjugate gradient (TCG), a non-iterative/fixed-cost strategy for computing polarization in molecular dynamics: Fast evaluation of analytical forcesF Aviat, L Lagardere, JP PiquemalThe Journal of chemical physics 147 (16), 2017232017
5-) Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approachesPS Hudson, F Aviat, R Meana-Pañeda, L Warrensford, BC Pollard, ...Journal of Computer-Aided Molecular Design 36 (4), 263-277, 2022122022