Bernd Ensing

19PUBLICATIONS
124CO-AUTHORS
Computational chemistryStatistical mechanics in chemistrySemi- and unsupervised learningFree radical chemistryAnalytical spectrometry
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Publications (19)

|Jul 27, 2026
SURFXsim: Free-Energy Simulations of Spin-Forbidden Events with a Spin-Gap Collective Variable.

|Oct 08, 2025
Simultaneous sampling of multiple transition channels using adaptive paths of collective variables.

Alberto Pérez de Alba Ortíz, Bernd Ensing

|Mar 04, 2025
PLUMED Tutorials: A collaborative, community-driven learning ecosystem.

Gareth A Tribello, Massimiliano Bonomi, Giovanni Bussi

|Mar 22, 2024
Redox Properties of Flavin in BLUF and LOV Photoreceptor Proteins from Hybrid QM/MM Molecular Dynamics Simulation.

Murat Kılıç, Bernd Ensing

|Feb 24, 2023
Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data.

Jim Boelrijk, Denice van Herwerden, Bernd Ensing

|Nov 01, 2022
Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography.

Tijmen S Bos, Jim Boelrijk, Stef R A Molenaar

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Frequent Collaborators

4 joint publications

Alberto Pérez de Alba Ortíz

2 joint publications

Sander Woutersen

2 joint publications

Denice van Herwerden

2 joint publications

Rakesh C Puthenkalathil