Lars V Schäfer

51PUBLICATIONS
78CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Chemical and thermal processes in energy and combustionBio-fluidsEvolutionary computationMetal organic frameworks
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Publications (51)

|Oct 23, 2026
Light Martini water accelerates sampling in coarse-grained molecular dynamics simulations.

|Feb 14, 2026
Tuning the H2 Production Activity of ToHydA by Molecular Simulation-Informed Protein Engineering.

Chandan K Das, Subhasri Ghosh, Shuvankar Naskar

|Dec 07, 2025
Predicting the Dynamic Viscosity of High-Concentration Antibody Solutions with a Chemically Specific Coarse-Grained Model.

Tobias M Prass, Patrick Garidel, Michaela Blech

|Aug 18, 2025
Employing Artificial Neural Networks for Optimal Storage and Facile Sharing of Molecular Dynamics Simulation Trajectories.

Abdul Wasim, Lars V Schäfer, Jagannath Mondal

|Aug 13, 2025
To Bend or Not to Bend: Revealing the Stereoelectronic Origin of the Distorted sp Carbon in Isocyanates.

Lucas Araujo, Felipe Fantuzzi, Thiago M Cardozo

|Aug 08, 2025
Robust estimation of rotational diffusion tensors of proteins from molecular dynamics simulations.

Simon L Holtbrügge, Lars V Schäfer

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Frequent Collaborators

6 joint publications

Saumyak Mukherjee

4 joint publications

Tobias M Prass

4 joint publications

Chandan K Das

4 joint publications

Rasmus Linser