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The Journal of Chemical Physics|February 8, 2016
Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methodsV Kapil, J VandeVondele, M CeriottiInorganic Chemistry|October 30, 2001
Cis-trans isomerization in triply-bonded ditungsten complexes: a multitude of possible pathwaysJ VandeVondele, A Magistrato, U RothlisbergerNanotechnology|August 8, 2009
Impact-driven effects in thin-film growth: steering and transient mobility at the Ag(110) surfaceM Ceriotti, R Ferrando, F MontalentiJournal of Physics. Condensed Matter : an Institute of Physics Journal|February 23, 2012
Density functional study of the decomposition pathways of SiH₃ and GeH₃ at the Si(100) and Ge(100) surfacesM Ceriotti, F Montalenti, M BernasconiJournal of Chemical Theory and Computation|May 18, 2021
Global Free-Energy Landscapes as a Smoothly Joined Collection of Local MapsF Giberti, G A Tribello, M CeriottiProteins|July 2, 2003
Reaction mechanism of caspases: insights from QM/MM Car-Parrinello simulationsM Sulpizi, A Laio, J VandeVondele, et al.Nature Materials|September 6, 2011
Large variation of vacancy formation energies in the surface of crystalline iceM Watkins, D Pan, E G Wang, et al.The Journal of Chemical Physics|October 23, 2025
Representing spherical tensors with scalar-based machine-learning modelsM Domina, F Bigi, P Pegolo, et al.Heart (British Cardiac Society)|August 26, 2010
Inorganic nitrate and the cardiovascular systemV Kapil, A J Webb, A AhluwaliaFrontiers in Psychology|July 16, 2015
Reminders of behavioral disinhibition increase public conformity in the Asch paradigm and behavioral affiliation with ingroup membersKees van den Bos, E A Lind, Jeroen Bommelé, et al.Pageof 3