Igor Poltavsky

8PUBLICATIONS
24CO-AUTHORS
Process control and simulationComputational chemistryTheoretical quantum chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Statistical mechanics, physical combinatorics and mathematical aspects of condensed matter
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Publications (8)

|Apr 08, 2026
aims-PAX: Parallel Active Exploration Enables Expedited Construction of Machine Learning Force Fields for Molecules and Materials.

Tobias Henkes, Shubham Sharma, Alexandre Tkatchenko

|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

|Jul 14, 2024
Accurate Quantum Monte Carlo Forces for Machine-Learned Force Fields: Ethanol as a Benchmark.

E Slootman, I Poltavsky, R Shinde

|Nov 27, 2023
Force Field Analysis Software and Tools (FFAST): Assessing Machine Learning Force Fields under the Microscope.

Gregory Fonseca, Igor Poltavsky, Alexandre Tkatchenko

|Jul 09, 2021
Machine Learning Force Fields: Recent Advances and Remaining Challenges.

Igor Poltavsky, Alexandre Tkatchenko

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Frequent Collaborators

8 joint publications

Alexandre Tkatchenko

3 joint publications

Klaus-Robert Müller

2 joint publications

Carolin Müller

2 joint publications

Markus Meuwly