Joost VandeVondele
0000-0002-0902-5111
86 papers found
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Cis−TransIsomerization in Triply-Bonded Ditungsten Complexes: A Multitude of Possible Pathways
Estimating equilibrium properties from non-Hamiltonian dynamics
Three- and Four-Center Trans Effects in Triply Bonded Ditungsten Complexes: An ab Initio Molecular Dynamics Study of Compounds with Stoichiometry W2Cl4(NHEt)2(PMe3)2
Efficient multidimensional free energy calculations for ab initio molecular dynamics using classical bias potentials
First-principles molecular dynamics of metallic systems
Large Scale Condensed Matter Calculations using the Gaussian and Augmented Plane Waves Method
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