Igor Poltavsky
Igor Poltavsky
PostDoc
Verified email at uni.lu
Title
Cited by
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
3862017
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
662019
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
412019
Modeling quantum nuclei with perturbed path integral molecular dynamics
I Poltavsky, A Tkatchenko
Chemical science 7 (2), 1368-1372, 2016
342016
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
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
282019
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
232018
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
212016
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
192005
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
192005
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
142006
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
122018
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
Tuning intermolecular interactions with nanostructured environments
M Chattopadhyaya, J Hermann, I Poltavsky, A Tkatchenko
Chemistry of Materials 29 (6), 2452-2458, 2017
82017
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
82007
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
82002
Construction of machine learned force fields with quantum chemical accuracy: Applications and chemical insights
HE Sauceda, S Chmiela, I Poltavsky, KR Müller, A Tkatchenko
arXiv preprint arXiv:1909.08565, 2019
72019
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
72009
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
62018
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Articles 1–20