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Igor Poltavsky
Igor Poltavsky
PostDoc
Verified email at uni.lu
Title
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Cited by
Year
Machine learning of accurate energy-conserving molecular force fields
S Chmiela, A Tkatchenko, HE Sauceda, I Poltavsky, KT Schütt, KR Müller
Science advances 3 (5), e1603015, 2017
8152017
Machine learning force fields
OT Unke, S Chmiela, HE Sauceda, M Gastegger, I Poltavsky, KT Schütt, ...
Chemical Reviews 121 (16), 10142-10186, 2021
3372021
i-PI 2.0: A universal force engine for advanced molecular simulations
V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ...
Computer Physics Communications 236, 214-223, 2019
1932019
sGDML: Constructing accurate and data efficient molecular force fields using machine learning
S Chmiela, HE Sauceda, I Poltavsky, KR Müller, A Tkatchenko
Computer Physics Communications 240, 38-45, 2019
1322019
Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces
HE Sauceda, S Chmiela, I Poltavsky, KR Müller, A Tkatchenko
The Journal of chemical physics 150 (11), 114102, 2019
832019
Quantum tunneling of thermal protons through pristine graphene
I Poltavsky, L Zheng, M Mortazavi, A Tkatchenko
The Journal of Chemical Physics 148 (20), 204707, 2018
462018
Modeling quantum nuclei with perturbed path integral molecular dynamics
I Poltavsky, A Tkatchenko
Chemical Science 7 (2), 1368-1372, 2016
422016
Thermodynamics of low-dimensional spin-1 2 Heisenberg ferromagnets in an external magnetic field within a Green function formalism
TN Antsygina, MI Poltavskaya, II Poltavsky, KA Chishko
Physical Review B 77 (2), 024407, 2008
352008
Machine learning force fields: Recent advances and remaining challenges
I Poltavsky, A Tkatchenko
The Journal of Physical Chemistry Letters 12 (28), 6551-6564, 2021
302021
Thermal and electronic fluctuations of flexible adsorbed molecules: Azobenzene on Ag (111)
RJ Maurer, W Liu, I Poltavsky, T Stecher, H Oberhofer, K Reuter, ...
Physical Review Letters 116 (14), 146101, 2016
262016
Thermodynamics of quasi-one-dimensional deposits on carbon nanobundles
TN Antsygina, II Poltavsky, KA Chishko, TA Wilson, OE Vilches
Low temperature physics 31 (12), 1007-1016, 2005
222005
Thermodynamics of quasi-one-dimensional deposits on carbon nanobundles
TN Antsygina, II Poltavsky, KA Chishko, TA Wilson, OE Vilches
Low temperature physics 31 (12), 1007-1016, 2005
222005
Challenges for machine learning force fields in reproducing potential energy surfaces of flexible molecules
V Vassilev-Galindo, G Fonseca, I Poltavsky, A Tkatchenko
The Journal of Chemical Physics 154 (9), 094119, 2021
212021
Thermodynamics of low-dimensional adsorption in grooves, on the outer surface, and in interstitials of a closed-ended carbon nanotube bundle
TN Antsygina, II Poltavsky, KA Chishko
Physical Review B 74 (20), 205429, 2006
172006
Improving molecular force fields across configurational space by combining supervised and unsupervised machine learning
G Fonseca, I Poltavsky, V Vassilev-Galindo, A Tkatchenko
The Journal of Chemical Physics 154 (12), 124102, 2021
142021
Perturbed path integrals in imaginary time: Efficiently modeling nuclear quantum effects in molecules and materials
I Poltavsky, RA DiStasio Jr, A Tkatchenko
The Journal of Chemical Physics 148 (10), 102325, 2018
142018
Construction of machine learned force fields with quantum chemical accuracy: Applications and chemical insights
HE Sauceda, S Chmiela, I Poltavsky, KR Müller, A Tkatchenko
Machine Learning Meets Quantum Physics, 277-307, 2020
122020
Lattice dynamics and heat capacity of a two-dimensional monoatomic crystal on a substrate
TN Antsygina, II Poltavsky, MI Poltavskaya, KA Chishko
Low Temperature Physics 28 (6), 442-451, 2002
122002
Stability of functionalized platform molecules on Au (111)
T Jasper-Tönnies, I Poltavsky, S Ulrich, T Moje, A Tkatchenko, R Herges, ...
The Journal of Chemical Physics 149 (24), 244705, 2018
112018
Exactly Solved Model for 4He Adsorption on Carbon Nanotube Bundles
TN Antsygina, II Poltavsky, KA Chishko
Journal of Low Temperature Physics 148, 821-826, 2007
112007
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Articles 1–20