Igor Poltavsky (I Poltavsky)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 14

Top Topics

Machine Learning

Single Molecule

Molecular Dynamics

Top Venues

The Journal of chemical physics

Journal of chemical theory and computation

The journal of physical chemistry letters

Chemical reviews

This page only lists publications with an associated author ORCID identifier.

Publications

E Slootman, Igor Poltavsky, Ravindra Shinde, J Cocomello, S Moroni, Alexandre Tkatchenko, Claudia Filippi
Accurate Quantum Monte Carlo Forces for Machine-Learned Force Fields: Ethanol as a Benchmark. Journal of chemical theory and computation (2024)
E Slootman, Igor Poltavsky, Ravindra Shinde, J Cocomello, S Moroni, Alexandre Tkatchenko, Claudia Filippi
Accurate Quantum Monte Carlo Forces for Machine-Learned Force Fields: Ethanol as a Benchmark. Journal of chemical theory and computation 20 (14) (2024)
E Slootman, Igor Poltavsky, Ravindra Shinde, J Cocomello, S Moroni, Alexandre Tkatchenko, Claudia Filippi
Accurate Quantum Monte Carlo Forces for Machine-Learned Force Fields: Ethanol as a Benchmark. Journal of chemical theory and computation 20 (14) (2024)
E Slootman, Igor Poltavsky, Ravindra Shinde, J Cocomello, S Moroni, Alexandre Tkatchenko, Claudia Filippi
Accurate Quantum Monte Carlo Forces for Machine-Learned Force Fields: Ethanol as a Benchmark. Journal of chemical theory and computation 20 (14) (2024)
Gregory Fonseca, Igor Poltavsky, Alexandre Tkatchenko
Force Field Analysis Software and Tools (FFAST): Assessing Machine Learning Force Fields under the Microscope. Journal of chemical theory and computation (2023)
Valentin Vassilev-Galindo, Gregory Fonseca, Igor Poltavsky, Alexandre Tkatchenko
Challenges for machine learning force fields in reproducing potential energy surfaces of flexible molecules. The Journal of chemical physics 154 (9) (2021)
Oliver T Unke, Stefan Chmiela, Huziel E Sauceda, Michael Gastegger, Igor Poltavsky, Kristof T Schütt, Alexandre Tkatchenko, Klaus-Robert Müller
Machine Learning Force Fields. Chemical reviews 121 (16) (2021)
Gregory Fonseca, Igor Poltavsky, Valentin Vassilev-Galindo, Alexandre Tkatchenko
Improving molecular force fields across configurational space by combining supervised and unsupervised machine learning. The Journal of chemical physics 154 (12) (2021)
Igor Poltavsky, Alexandre Tkatchenko
Machine Learning Force Fields: Recent Advances and Remaining Challenges. The journal of physical chemistry letters 12 (28) (2021)
Igor Poltavsky, Venkat Kapil, Michele Ceriotti, Kwang-Sub Kim, Alexandre Tkatchenko
Accurate Description of Nuclear Quantum Effects with High-Order Perturbed Path Integrals (HOPPI). Journal of chemical theory and computation 16 (2) (2020)
Huziel E Sauceda, Stefan Chmiela, Igor Poltavsky, Klaus-Robert Müller, Alexandre Tkatchenko
Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces. The Journal of chemical physics 150 (11) (2019)
Torben Jasper-Tönnies, Igor Poltavsky, Sandra Ulrich, Tobias Moje, Alexandre Tkatchenko, Rainer Herges, Richard Berndt
Stability of functionalized platform molecules on Au(111). The Journal of chemical physics 149 (24) (2019)
Igor Poltavsky, Limin Zheng, Majid Mortazavi, Alexandre Tkatchenko
Quantum tunneling of thermal protons through pristine graphene. The Journal of chemical physics 148 (20) (2018)
Igor Poltavsky, Robert A DiStasio, Alexandre Tkatchenko
Perturbed path integrals in imaginary time: Efficiently modeling nuclear quantum effects in molecules and materials. The Journal of chemical physics 148 (10) (2018)