Simulation of structural phase transitions by metadynamics
about
Modelling temperature-dependent properties of polymorphic organic molecular crystals.Uncovering molecular processes in crystal nucleation and growth by using molecular simulation.Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations.CO2 packing polymorphism under pressure: Mechanism and thermodynamics of the I-III polymorphic transition.On the determination of phase boundaries via thermodynamic integration across coexistence regions.Two-Step Phase Transition in SnSe and the Origins of its High Power Factor from First Principles.Crystal structure prediction using the minima hopping method.
P2860
Q30357005-09A1B842-9BF7-4631-8248-92CADBD557F3Q37832720-A5D0B33D-1967-407E-8643-D0C6E69E437DQ46186442-19206345-93FD-42DC-8AF2-F42F13527571Q47645961-05729239-38AC-432F-A9D8-D1A706B3622BQ50903073-9E7722ED-9F05-4FD4-BEE2-E8FDBB36CBF0Q51046515-F360BB73-0B6E-48FC-B7D5-81BEE3DFE164Q51623197-A1423061-B36F-4E2A-89DA-47A6F27B4C77
P2860
Simulation of structural phase transitions by metadynamics
description
wetenschappelijk artikel
@nl
наукова стаття, опублікована в січні 2005
@uk
name
Simulation of structural phase transitions by metadynamics
@en
Simulation of structural phase transitions by metadynamics
@nl
type
label
Simulation of structural phase transitions by metadynamics
@en
Simulation of structural phase transitions by metadynamics
@nl
prefLabel
Simulation of structural phase transitions by metadynamics
@en
Simulation of structural phase transitions by metadynamics
@nl
P2093
P2860
P1476
Simulation of structural phase transitions by metadynamics
@en
P2093
Alessandro Laio
Chiara Ceriani
Federico Zipoli
Marco Bernasconi
Michele Parrinello
Paolo Raiteri
Roman Martoňák
P2860
P356
10.1524/ZKRI.220.5.489.65078
P577
2005-01-01T00:00:00Z