Tomáš Bučko
11PUBLICATIONS
19CO-AUTHORS
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Publications (11)
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|Sep 30, 2025
Machine learning accelerates Raman computations from molecular dynamics for materials science.David A Egger, Manuel Grumet, Tomáš Bučko
|Sep 23, 2025
Adsorption of benzene on graphene studied by ML-accelerated ab initio molecular dynamics simulations.Katarína Skladanová, Tomáš Bučko
|Sep 18, 2024
Rapid Characterization of Point Defects in Solid-State Ion Conductors Using Raman Spectroscopy, Machine-Learning Force Fields, and Atomic Raman Tensors.Willis O'Leary, Manuel Grumet, Waldemar Kaiser
|May 15, 2024
Thermodynamics of the gas-phase dimerization of formic acid: Fully anharmonic finite temperature calculations at the CCSD(T) and many DFT levels.Dávid Vrška, Michal Pitoňák, Tomáš Bučko
|Jan 05, 2024
Investigating the role of dispersion corrections and anharmonic effects on the phase transition in SrZrS3: A systematic analysis from AIMD free energy calculations.Namrata Jaykhedkar, Roman Bystrický, Milan Sýkora
|Dec 06, 2023
Reference-Quality Free Energy Barriers in Catalysis from Machine Learning Thermodynamic Perturbation Theory.Jérôme Rey, Céline Chizallet, Dario Rocca
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Frequent Collaborators
2 joint publications
Jonas Amsler
2 joint publications
Felix Studt
2 joint publications
Michael Badawi
2 joint publications
Namrata Jaykhedkar
2 joint publications
Milan Sýkora
2 joint publications
David A Egger
1 joint publications
Philipp N Plessow
1 joint publications
Maurício Chagas da Silva
1 joint publications
Fabien Pascale
1 joint publications
Sébastien Lebègue
