Ben Swerts

Excited states of GFP chromophore and active site studied by the SAC‐CI method: Effect of protein‐environment and mutations

Jun‐ya Hasegawa, Kazuhiro J. Fujimoto, Ben Swerts et al. · Journal of Computational Chemistry · 2007 · 79 citations

Embedding Fragment ab Initio Model Potentials in CASSCF/CASPT2 Calculations of Doped Solids: Implementation and Applications

Ben Swerts, Liviu F. Chibotaru, Roland Lindh et al. · Journal of Chemical Theory and Computation · 2008 · 55 citations · Full text

Crystal Structure, Engineering, Model Potentials +19

A Linearly Scaling QM/MM Method to Study Molecular Crystals Using BRABO/CHARMM:  Application to 2-(2-Methyl-3-chloroanilino) Nicotinic Acid

Ben Swerts, Joris Van Droogenbroeck, Anik Peeters et al. · The Journal of Physical Chemistry A · 2002 · 10 citations

Crystal Structure, Engineering, Extended Point Charge +16

A multicore QM/MM approach for the geometry optimization of chromophore aggregate in protein

Yasuomi Kiyota, Jun‐ya Hasegawa, Kazuhiro J. Fujimoto et al. · Journal of Computational Chemistry · 2008 · 10 citations