Kai Töpfer

16PUBLICATIONS
105CO-AUTHORS
Computational chemistryElectronic and magnetic properties of condensed matter; superconductivityFluid-structure interaction and aeroacousticsComputational complexity and computabilityStatistical mechanics, physical combinatorics and mathematical aspects of condensed matter
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Publications (16)

|Feb 12, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023.

Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva

|Feb 06, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023.

Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin

|Nov 11, 2024
Energy relaxation of N2O in gaseous, supercritical, and liquid xenon and SF6.

Kai Töpfer, Shyamsunder Erramilli, Lawrence D Ziegler

|Oct 24, 2024
Force Fields for Deep Eutectic Mixtures: Application to Structure, Thermodynamics and 2D-Infrared Spectroscopy.

Kai Töpfer, Eric Boittier, Mike Devereux

|Sep 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed.

Wonmuk Hwang, Steven L Austin, Arnaud Blondel

|Sep 04, 2024
Kernel-Based Minimal Distributed Charges: A Conformationally Dependent ESP-Model for Molecular Simulations.

Eric Boittier, Kai Töpfer, Mike Devereux

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Frequent Collaborators

16 joint publications

Markus Meuwly

8 joint publications

Silvan Käser

4 joint publications

Luis Itza Vazquez-Salazar

3 joint publications

Meenu Upadhyay