Igor Gordiy

9PUBLICATIONS
26CO-AUTHORS
Evolutionary computationTheoretical quantum chemistryPhotochemistryOrganic chemical synthesisMicro- and nanosystems
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Publications (9)

|Jul 01, 2026
Multiscale Neural Network Potential with Anisotropic Message Passing for the Fast and Accurate Simulation of Protein Dynamics and Enzymatic Reactions.

|Jun 01, 2026
Leveraging the Potential of Machine-Learning Interatomic Potentials for QM/MM Simulations.

|May 12, 2025
Microscopic basis of reaction center modulation in PsbA variants of photosystem II.

Sinjini Bhattacharjee, Igor Gordiy, Abhishek Sirohiwal

|Feb 17, 2025
Neural Network Potential with Multiresolution Approach Enables Accurate Prediction of Reaction Free Energies in Solution.

Felix Pultar, Moritz Thürlemann, Igor Gordiy

|Feb 05, 2025
Asymmetric total synthesis of glauconic and glaucanic acid.

Jan Paciorek, Christian Steinborn, Igor Gordiy

|Aug 28, 2024
Molecular interactions of photosystem I and ZIF-8 in bio-nanohybrid materials.

Sebastian Reiter, Igor Gordiy, Kathrin L Kollmannsberger

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Frequent Collaborators

3 joint publications

Felix Pultar

3 joint publications

Sereina Riniker

2 joint publications

Stefan Grimme

2 joint publications

Markus Bursch