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Igor Poltavsky

6PUBLICATIONS

8CO-AUTHORS

Semi- and unsupervised learningChemical thermodynamics and energeticsComputational chemistryPhotovoltaic devices (solar cells)Electrical energy generation (incl. renewables, excl. photovoltaics)

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Publications (6)

Sort by Publication Date:

|Apr 03, 2021

Improving molecular force fields across configurational space by combining supervised and unsupervised machine learning.

Gregory Fonseca, Igor Poltavsky, Valentin Vassilev-Galindo

|Mar 09, 2021

Challenges for machine learning force fields in reproducing potential energy surfaces of flexible molecules.

Valentin Vassilev-Galindo, Gregory Fonseca, Igor Poltavsky

|Mar 24, 2019

Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces.

Huziel E Sauceda, Stefan Chmiela, Igor Poltavsky

|Jan 03, 2019

Stability of functionalized platform molecules on Au(111).

Torben Jasper-Tönnies, Igor Poltavsky, Sandra Ulrich

|Jun 06, 2018

Quantum tunneling of thermal protons through pristine graphene.

Igor Poltavsky, Limin Zheng, Majid Mortazavi

|Mar 17, 2018

Perturbed path integrals in imaginary time: Efficiently modeling nuclear quantum effects in molecules and materials.

Igor Poltavsky, Robert A DiStasio, Alexandre Tkatchenko

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Frequent Collaborators

2 joint publications

Valentin Vassilev-Galindo

1 joint publications

Majid Mortazavi

1 joint publications

Torben Jasper-Tönnies

1 joint publications

Richard Berndt

1 joint publications

Huziel E Sauceda

1 joint publications

Stefan Chmiela

1 joint publications

Klaus-Robert Müller

1 joint publications

Alexandre Tkatchenko

Frequent Collaborators

2 joint publications

Valentin Vassilev-Galindo

1 joint publications

Majid Mortazavi

1 joint publications

Torben Jasper-Tönnies

1 joint publications

Richard Berndt

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