David van der Spoel

29PUBLICATIONS
95CO-AUTHORS
Statistical mechanics in chemistrySeparation technologiesProcedural content generationTheoretical quantum chemistryCondensed matter modelling and density functional theory
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Publications (29)

|May 23, 2026
Bayesian Modeling of Polarizable Water: Lessons for Force Field Development.

|Apr 09, 2026
LacI strikes a balance between stability and inducibility.

Jinwen Yuan, Malin Lüking, Spartak Zikrin

|Mar 10, 2026
plotXVG: Batch Generation of Publication-Quality Graphs from GROMACS Output.

Måns K Rosenbaum, David van der Spoel

|Feb 21, 2026
Beyond Partitioning: Using Force Field Science to Evaluate Electrostatics Models.

A Najla Hosseini, Kristian Kříž, David van der Spoel

|Dec 20, 2025
Correction to "Impact of Combination Rules, Level of Theory, and Potential Function on the Modeling of Gas- and Condensed-Phase Properties of Noble Gases".

Kristian Kříž, Paul J van Maaren, David van der Spoel

|Jun 18, 2025
Point + Gaussian charge model for electrostatic interactions derived by machine learning.

David van der Spoel, A Najla Hosseini

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Frequent Collaborators

5 joint publications

Kristian Kříž

3 joint publications

A Najla Hosseini

3 joint publications

Marie-Madeleine Walz

2 joint publications

Haiyang Zhang