Igor Poltavsky
Igor Poltavsky
PostDoc
Verified email at uni.lu
TitleCited byYear
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
1852017
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
332008
Modeling quantum nuclei with perturbed path integral molecular dynamics
I Poltavsky, A Tkatchenko
Chemical science 7 (2), 1368-1372, 2016
252016
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
192019
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
182005
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
182005
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
162016
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
132006
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
112018
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
92018
Dynamics and thermodynamics of quasi-one-dimensional helium deposited on carbon nano-bundles
TN Antsygina, II Poltavsky, KA Chishko
Journal of low temperature physics 138 (1-2), 223-228, 2005
92005
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
92002
Exactly Solved Model for 4He Adsorption on Carbon Nanotube Bundles
TN Antsygina, II Poltavsky, KA Chishko
Journal of Low Temperature Physics 148 (5-6), 821-826, 2007
72007
Lattice Dynamics of 2D Monoatomic Crystals: Application to 3He on Graphite
TN Antsygina, KA Chishko, II Poltavsky
Journal of low temperature physics 126 (1-2), 15-20, 2002
72002
Tuning intermolecular interactions with nanostructured environments
M Chattopadhyaya, J Hermann, I Poltavsky, A Tkatchenko
Chemistry of Materials 29 (6), 2452-2458, 2016
52016
Square lattice hard-core bosons within the random phase approximation
TN Antsygina, MI Poltavskaya, II Poltavsky, KA Chishko
Physical Review B 80 (17), 174511, 2009
52009
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, 2019
42019
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
32019
Magnetization of 3He layers in ferromagnetic regime: Cluster size effects
II Poltavsky, TN Antsygina, MI Poltavskaya, KA Chishko
Physica B: Condensed Matter 407 (19), 3925-3932, 2012
32012
Excitation spectra of hard-core bosons on square and triangular lattices in superfluid phase
TN Antsygina, MI Poltavskaya, II Poltavsky, KA Chishko
Physical Review B 82 (14), 144504, 2010
22010
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Articles 1–20