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The Journal of Physical Chemistry. B|August 22, 2009
Ensemble of transition state structures for the cis-trans isomerization of N-methylacetamideYves A Mantz, Davide Branduardi, Giovanni Bussi, et al.The Journal of Physical Chemistry. B|August 5, 2009
A molecular dynamics study of the early stages of calcium carbonate growthGareth A Tribello, Fabien Bruneval, CheeChin Liew, et al.Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|February 12, 2014
Aqueous solutions: state of the art in ab initio molecular dynamicsAli A Hassanali, Jérôme Cuny, Vincenzo Verdolino, et al.Faraday Discussions|October 4, 2023
A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldsparPablo M Piaggi, Annabella Selloni, Athanassios Z Panagiotopoulos, et al.Proceedings of the National Academy of Sciences of the United States of America|August 8, 2022
Homogeneous ice nucleation in an ab initio machine-learning model of waterPablo M Piaggi, Jack Weis, Athanassios Z Panagiotopoulos, et al.Nature Materials|July 18, 2006
Crystal structure transformations in SiO2 from classical and ab initio metadynamicsRoman Martonák, Davide Donadio, Artem R Oganov, et al.Physical Review Letters|December 20, 2003
Hydrogen bonding in waterBin Chen, Ivaylo Ivanov, Michael L Klein, et al.Physical Review Letters|May 21, 2005
Charge localization in DNA fibersFrancesco Luigi Gervasio, Alessandro Laio, Michele Parrinello, et al.Proceedings of the National Academy of Sciences of the United States of America|September 10, 2013
Nuclear quantum effects and hydrogen bond fluctuations in waterMichele Ceriotti, Jérôme Cuny, Michele Parrinello, et al.Proceedings of the National Academy of Sciences of the United States of America|November 20, 2013
Free-energy landscape of protein oligomerization from atomistic simulationsAlessandro Barducci, Massimiliano Bonomi, Meher K Prakash, et al.Pageof 28