Burkhard Schmidt

Quantum-classical Liouville approach to molecular dynamics: Surface hopping Gaussian phase-space packets

Illia Horenko, Christian Salzmann, Burkhard Schmidt et al. · The Journal of Chemical Physics · 2002 · 153 citations · Full text

Quantum Dynamic, Engineering, Many-body Quantum Physic +17

Calcium ions in aqueous solutions: Accurate force field description aided by <i>ab initio</i> molecular dynamics and neutron scattering

Tomáš Martínek, Élise Duboué-Dijon, Štěpán Timr et al. · The Journal of Chemical Physics · 2018 · 107 citations · Full text

Engineering, Refined Calcium Parameterization, Molecular Biology +18

Ab Initio Molecular Dynamics Simulation of a Medium-Sized Water Cluster Anion: From an Interior to a Surface-Located Excess Electron via a Delocalized State

Tomaso Frigato, Joost VandeVondele, Burkhard Schmidt et al. · The Journal of Physical Chemistry A · 2008 · 85 citations

Engineering, Computational Chemistry, Chemistry +17

Dynamics of Electron Localization in Warm versus Cold Water Clusters

Ondřej Maršálek, F. Uhlig, Tomaso Frigato et al. · Physical Review Letters · 2010 · 73 citations

Localized Excited State, Engineering, Excess Electron Relaxes +16

Anharmonic midinfrared vibrational spectra of benzoic acid monomer and dimer

Jens Antony, Gert von Helden, Gerard Meijer et al. · The Journal of Chemical Physics · 2005 · 64 citations

Engineering, Absorption Spectroscopy, Organic Chemistry +16