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Structural Dynamics (Melville, N.Y.)|January 19, 2018
Erratum: Publisher's Note: "Implications of short time scale dynamics on long time processes" (Struct. Dyn. 4, 061507 (2017)]Krystel El Hage, Sebastian Brickel, Sylvain Hermelin, et al.Structural Dynamics (Melville, N.Y.)|January 9, 2018
Implications of short time scale dynamics on long time processesKrystel El Hage, Sebastian Brickel, Sylvain Hermelin, et al.Structural Dynamics (Melville, N.Y.)|January 30, 2018
Nonadiabatic effects in electronic and nuclear dynamicsMartin P Bircher, Elisa Liberatore, Nicholas J Browning, et al.Journal of the American Chemical Society|February 20, 2026
Boosting Computational Catalysis and Chemical Reactivity with Artificial IntelligenceKonstantinos D Vogiatzis, Clémence Corminboeuf, Ainara Nova, et al.Structural Dynamics (Melville, N.Y.)|January 16, 2018
Charge migration and charge transfer in molecular systemsHans Jakob Wörner, Christopher A Arrell, Natalie Banerji, et al.Chemical Science|February 6, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin, et al.Chemical Science|February 12, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva, et al.Physical Chemistry Chemical Physics : PCCP|August 23, 2023
The first HyDRA challenge for computational vibrational spectroscopyTaija L Fischer, Margarethe Bödecker, Sophie M Schweer, et al.Biophysical Journal|April 3, 2026
The scientific legacy of Martin Karplus from the perspective of his collaboratorsIoan Andricioaei, Robert B Best, Robert R Birge, et al.The Journal of Physical Chemistry. B|September 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and SpeedWonmuk Hwang, Steven L Austin, Arnaud Blondel, et al.Pageof 26