Alexandre Tkatchenko

90PUBLICATIONS
238CO-AUTHORS
Surface properties of condensed matterTransport properties and non-equilibrium processesTheoretical quantum chemistryProcess control and simulationBioinformatic methods development
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Publications (90)

|Aug 28, 2026
Repulsive inverse-distance interatomic interaction from many-body quantum electrodynamics.

|Apr 22, 2026
Accurate density functional theory for noncovalent interactions in charged systems.

|Apr 20, 2026
Machine-Learned Electrostatic Potentials for Accurate Hydration Free Energy Calculations.

|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 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data.

Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum

|Feb 16, 2026
Improving the Stability and Transferability of Effective ADMET Models by Adding Quantum Mechanical Descriptors.

Ashmita Bose, Gian-Luca R Anselmetti, Matthias Degroote

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Frequent Collaborators

12 joint publications

Leonardo Medrano Sandonas

9 joint publications

Klaus-Robert Müller

8 joint publications

Igor Poltavsky

7 joint publications

Matteo Barborini