Igor Poltavsky

Igor Poltavsky

Research scientist

Faculty or Centre Faculty of Science, Technology and Medicine
Department Department of Physics and Materials Science
Postal Address Campus Limpertsberg, Université du Luxembourg
162 A, avenue de la Faïencerie
L-1511 Luxembourg
Campus Office BRB 2.10
Email
Telephone (+352) 46 66 44 6478
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2021

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See detailImproving molecular force fields across configurational space by combining supervised and unsupervised machine learning
Cordeiro Fonseca, Gregory; Poltavskyi, Igor; Vassilev Galindo, Valentin; Tkatchenko, Alexandre

in Journal of Chemical Physics (2021)

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See detailMachine Learning Force Fields
Oliver T. Unke; Stefan Chmiela; Huziel E. Sauceda; Michael Gastegger; Poltavskyi, Igor; Kristof T. Schütt; Tkatchenko, Alexandre; Klaus-Robert Müller

in Chemical Reviews (2021)

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See detailMachine Learning Force Fields: Recent Advances and Remaining Challenges
Poltavskyi, Igor; Tkatchenko, Alexandre

in Journal of Physical Chemistry Letters (2021)

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See detailChallenges for machine learning force fields in reproducing potential energy surfaces of flexible molecules
Vassilev Galindo, Valentin; Cordeiro Fonseca, Gregory; Poltavskyi, Igor; Tkatchenko, Alexandre

in Journal of Chemical Physics (2021)

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2020

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See detailAccurate description of nuclear quantum effects with high-order perturbed path integrals (HOPPI)
Poltavskyi, Igor; Kapil, Venkat; Ceriotti, Michele; Kim, Kwang S; Tkatchenko, Alexandre

in Journal of Chemical Theory and Computation (2020)

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2018

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See detailStability of functionalized platform molecules on Au(111)
Jasper-Tönnies, Torben; Poltavskyi, Igor; Ulrich, Sandra; Moje, Tobias; Tkatchenko, Alexandre; Herges, Rainer; Berndt, Richard

in Journal of Chemical Physics (2018), 149

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See detailPerturbed path integrals in imaginary time: Efficiently modeling nuclear quantum effects in molecules and materials
Poltavskyi, Igor; DiStasio, Robert; Tkatchenko, Alexandre

in Journal of Chemical Physics (2018), 148(10), 102325

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See detailQuantum tunneling of thermal protons through pristine graphene
Poltavskyi, Igor; Tkatchenko, Alexandre; Mortazavi, Majid; Zheng, Limin

in Journal of Chemical Physics (2018), 148(20), 204707

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2017

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See detailMachine learning of accurate energy-conserving molecular force fields
Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel; Poltavskyi, Igor; Schuett, Kristof; Mueller, Klaus-Robert

in Science Advances (2017), 3

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2016

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See detailThermal and electronic fluctuations of flexible adsorbed molecules: Azobenzene on Ag(111)
Maurer, Reinhard J.; Liu, Wei; Poltavskyi, Igor; Stecher, Thomas; Oberhofer, Harald; Reuter, Karsten; Tkatchenko, Alexandre

in Physical Review Letters (2016), 116

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