Bernd Ensing

Metadynamics as a Tool for Exploring Free Energy Landscapes of Chemical Reactions

Bernd Ensing, Marco De Vivo, Zhiwei Liu et al. · Accounts of Chemical Research · 2005 · 380 citations

Engineering, Computational Chemistry, Chemistry +17

A Recipe for the Computation of the Free Energy Barrier and the Lowest Free Energy Path of Concerted Reactions

Bernd Ensing, Alessandro Laio, Michele Parrinello et al. · The Journal of Physical Chemistry B · 2005 · 264 citations

Fenton-like Chemistry in Water:  Oxidation Catalysis by Fe(III) and H₂O₂

Bernd Ensing, Francesco Buda, Evert Jan Baerends · The Journal of Physical Chemistry A · 2003 · 206 citations · Full text

Oxygen Reduction Reaction, Inorganic Chemistry, Chemical Engineering +12

Toward a Practical Method for Adaptive QM/MM Simulations

Rosa E. Bulo, Bernd Ensing, Jetze Sikkema et al. · Journal of Chemical Theory and Computation · 2009 · 174 citations

Engineering, Computational Chemistry, Chemistry +23

Energy Conservation in Adaptive Hybrid Atomistic/Coarse-Grain Molecular Dynamics

Bernd Ensing, Steven O. Nielsen, Preston B. Moore et al. · Journal of Chemical Theory and Computation · 2007 · 167 citations

Total Energy, Engineering, Multiscale Algorithm +18