Andrew E Sifain

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 11

Top Topics

Molecular Dynamics

Machine Learning

Carbon Nanotubes

Crystal Structure

Top Venues

The journal of physical chemistry letters

Journal of chemical theory and computation

Chemical science

Chemical reviews

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

Publications

Braden M Weight, Andrew E Sifain, Brendan J Gifford, Han Htoon, Sergei Tretiak
On-the-Fly Nonadiabatic Dynamics Simulations of Single-Walled Carbon Nanotubes with Covalent Defects. ACS nano (2023)
Braden M Weight, Andrew E Sifain, Brendan J Gifford, Dmitri S Kilin, Svetlana V Kilina, Sergei Tretiak
Coupling between Emissive Defects on Carbon Nanotubes: Modeling Insights. The journal of physical chemistry letters 12 (32) (2021)
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)
Walter Malone, Benjamin Nebgen, Alexander White, Yu Zhang, Huajing Song, Josiah A Bjorgaard, Andrew E Sifain, Beatriz Rodriguez-Hernandez, Victor Manuel Freixas, Sebastian Fernandez-Alberti, Adrian E Roitberg, Tammie R Gibson, Sergei Tretiak
NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations. Journal of chemical theory and computation 16 (9) (2020)
Tammie R Gibson, Alexander J White, Josiah A Bjorgaard, Andrew E Sifain, Yu Zhang, Benjamin Nebgen, Sebastian Fernandez-Alberti, Dmitry Mozyrsky, Adrian E Roitberg, Sergei Tretiak
Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials. Chemical reviews 120 (4) (2020)
Brendan J Gifford, Andrew E Sifain, Han Htoon, Stephen K Doorn, Svetlana V Kilina, Sergei Tretiak
Correction Scheme for Comparison of Computed and Experimental Optical Transition Energies in Functionalized Single-Walled Carbon Nanotubes. The journal of physical chemistry letters 9 (10) (2018)
Andrew E Sifain, Loza F Tadesse, Josiah A Bjorgaard, David E Chavez, Oleg V Prezhdo, R Jason Scharff, Sergei Tretiak
Cooperative enhancement of the nonlinear optical response in conjugated energetic materials: A TD-DFT study. The Journal of chemical physics 146 (11) (2018)
Benjamin Nebgen, Nicholas Lubbers, Justin S Smith, Andrew E Sifain, Andrey Lokhov, Oleksandr Isaev, Adrian E Roitberg, Kipton Barros, Sergei Tretiak
Transferable Dynamic Molecular Charge Assignment Using Deep Neural Networks. Journal of chemical theory and computation 14 (9) (2018)
Andrew E Sifain, Nicholas Lubbers, Benjamin T Nebgen, Justin S Smith, Andrey Y Lokhov, Olexandr Isayev, Adrian E Roitberg, Kipton Barros, Sergei Tretiak
Discovering a Transferable Charge Assignment Model Using Machine Learning. The journal of physical chemistry letters 9 (16) (2018)
Andrew E Sifain, Josiah A Bjorgaard, Tammie R Gibson, Benjamin T Nebgen, Alexander J White, Brendan J Gifford, David W Gao, Oleg V Prezhdo, Sebastian Fernandez-Alberti, Adrian E Roitberg, Sergei Tretiak
Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull π-Conjugated Oligomers with the NEXMD Software. Journal of chemical theory and computation 14 (8) (2018)
Andrew E Sifain, Brendan J Gifford, David W Gao, Levi Lystrom, Tammie R Gibson, Sergei Tretiak
NEXMD Modeling of Photoisomerization Dynamics of 4-Styrylquinoline. The journal of physical chemistry. A 122 (49) (2018)