Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics.
about
Equilibrium configurations of large nanostructures using the embedded saturated-fragments stochastic density functional theory.Next generation extended Lagrangian first principles molecular dynamics.Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters.
P2860
Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics.
description
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name
Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics.
@en
Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics.
@nl
type
label
Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics.
@en
Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics.
@nl
prefLabel
Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics.
@en
Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics.
@nl
P2860
P356
P1476
Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics.
@en
P2093
Anders M N Niklasson
Arthur F Voter
P2860
P304
P356
10.1063/1.4917546
P407
P577
2015-04-01T00:00:00Z