Nicholas Lubbers

Publication Activity (10 Years)

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

Top Topics

Molecular Dynamics Simulations

Carbon Nanotubes

Machine Learning

Top Venues

Nature chemistry

The Journal of chemical physics

Nature reviews. Chemistry

Chemical science

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

Publications

Shuhao Zhang, Małgorzata Zofia Makoś, Ryan B Jadrich, Elfi Kraka, Kipton Barros, Benjamin T Nebgen, Sergei Tretiak, Oleksandr Isaev, Nicholas Lubbers, Richard A Messerly, Justin S Smith
Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential. Nature chemistry 16 (5) (2024)
Shuhao Zhang, Małgorzata Zofia Makoś, Ryan B Jadrich, Elfi Kraka, Kipton Barros, Benjamin T Nebgen, Sergei Tretiak, Oleksandr Isaev, Nicholas Lubbers, Richard A Messerly, Justin S Smith
Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential. Nature chemistry (2024)
Shuhao Zhang, Małgorzata Zofia Makoś, Ryan B Jadrich, Elfi Kraka, Kipton Barros, Benjamin T Nebgen, Sergei Tretiak, Oleksandr Isaev, Nicholas Lubbers, Richard A Messerly, Justin S Smith
Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential. Nature chemistry 16 (5) (2024)
Shuhao Zhang, Małgorzata Zofia Makoś, Ryan B Jadrich, Elfi Kraka, Kipton Barros, Benjamin T Nebgen, Sergei Tretiak, Oleksandr Isaev, Nicholas Lubbers, Richard A Messerly, Justin S Smith
Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential. Nature chemistry 16 (5) (2024)
Michael Chigaev, Justin S Smith, Steven Anaya, Benjamin T Nebgen, Matthew Bettencourt, Kipton Barros, Nicholas Lubbers
Lightweight and effective tensor sensitivity for atomistic neural networks. The Journal of chemical physics 158 (18) (2023)
Nikita Fedik, Roman Zubatyuk, Maksim Kulichenko, Nicholas Lubbers, Justin S Smith, Benjamin T Nebgen, Richard A Messerly, Ying Wai Li, Alexander I Boldyrev, Kipton Barros, Oleksandr Isaev, Sergei Tretiak
Extending machine learning beyond interatomic potentials for predicting molecular properties. Nature reviews. Chemistry 6 (9) (2022)
Nikita Fedik, Roman Zubatyuk, Maksim Kulichenko, Nicholas Lubbers, Justin S Smith, Benjamin T Nebgen, Richard A Messerly, Ying Wai Li, Alexander I Boldyrev, Kipton Barros, Oleksandr Isaev, Sergei Tretiak
Extending machine learning beyond interatomic potentials for predicting molecular properties. Nature reviews. Chemistry 6 (9) (2022)
Andrew E Sifain, Levi Lystrom, Richard A Messerly, Justin S Smith, Benjamin T Nebgen, Kipton Barros, Sergei Tretiak, Nicholas Lubbers, Brendan J Gifford
Predicting phosphorescence energies and inferring wavefunction localization with machine learning. Chemical science 12 (30) (2021)
Nicholas Lubbers, Justin S Smith, Kipton Barros
Hierarchical modeling of molecular energies using a deep neural network. The Journal of chemical physics 148 (24) (2018)
Justin S Smith, Ben Nebgen, Nicholas Lubbers, Oleksandr Isaev, Adrian E Roitberg
Less is more: Sampling chemical space with active learning. The Journal of chemical physics 148 (24) (2018)