Joost VandeVondele
Publications by Year
Research Areas
Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies, Photochemistry and Electron Transfer Studies, Quantum, superfluid, helium dynamics, Electrochemical Analysis and Applications
Most-Cited Works
- → Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach(2005)5,572 cited
- → Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases(2007)4,400 cited
- → CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations(2020)3,821 cited
- → cp2k: atomistic simulations of condensed matter systems(2013)2,841 cited
- → Catalyst support effects on hydrogen spillover(2017)1,031 cited
- → A Hamiltonian electrostatic coupling scheme for hybrid Car–Parrinello molecular dynamics simulations(2002)665 cited
- → An efficient orbital transformation method for electronic structure calculations(2003)656 cited
- → Auxiliary Density Matrix Methods for Hartree−Fock Exchange Calculations(2010)582 cited
- → The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water(2004)493 cited
- → Materials Cloud, a platform for open computational science(2020)355 cited