Andrew E. Sifain - Publications, H-index & Citations

Andrew E. Sifain

united states department of energy (doe)

15H指数

43论文数

1.3K被引数

收录论文 13

发表时间

On-the-Fly Nonadiabatic Dynamics Simulations of Single-Walled Carbon Nanotubes with Covalent Defects 具有共价缺陷的单壁碳纳米管的动态非绝热动力学模拟

ACS NANO

IF16

2023-03-27

OAAI

Weight, Braden M.; Sifain, Andrew E.; Gifford, Brendan J.; Htoon, Han; Tretiak, Sergei

Polariton enhanced free charge carrier generation in donor-acceptor cavity systems by a second-hybridization mechanism

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-10-31

OAAI

Wu, Weijun; Sifain, Andrew E. E.; Delpo, Courtney A. A.; Scholes, Gregory D. D.

Predicting phosphorescence energies and inferring wavefunction localization with machine learning

CHEMICAL SCIENCE

IF7.4

2021-01-01

OAAI

Sifain, Andrew E.; Lystrom, Levi; Messerly, Richard A.; Smith, Justin S.; Nebgen, Benjamin; Barros, Kipton; Tretiak, Sergei; Lubbers, Nicholas; Gifford, Brendan J.

NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-07-08

PREAI

Malone, Walter; Nebgen, Benjamin; White, Alexander; Zhang, Yu; Song, Huajing; Bjorgaard, Josiah A.; Sifain, Andrew E.; Rodriguez-Hernandez, Beatriz; Freixas, Victor M.; Fernandez-Alberti, Sebastian; Roitberg, Adrian E.; Nelson, Tammie R.; Tretiak, Sergei

Numerical tests of coherence-corrected surface hopping methods using a donor-bridge-acceptor model system

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2019-05-16

OAAI

Sifain, Andrew E.; Wang, Linjun; Tretiak, Sergei; Prezhdo, Oleg V.

Optical Effects of Divalent Functionalization of Carbon Nanotubes

CHEMISTRY OF MATERIALS

IF7

2019-05-16

OAAI

Gifford, Brendan J.; He, Xiaowei; Kim, Mijin; Kwon, Hyejin; Saha, Avishek; Sifain, Andrew E.; Wang, YuHuang; Htoon, Han; Kilina, Svetlana; Doorn, Stephen K.; Tretiak, Sergei

Transferable Dynamic Molecular Charge Assignment Using Deep Neural Networks

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-07-31

PREAI

Nebgen, Benjamin; Lubbers, Nicholas; Smith, Justin S.; Sifain, Andrew E.; Lokhov, Andrey; Isayev, Olexandr; Roitberg, Adrian E.; Barros, Kipton; Tretiak, Sergei

Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull π-Conjugated Oligomers with the NEXMD Software

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-06-06

PREAI

Sifain, Andrew E.; Bjorgaard, Josiah A.; Nelson, Tammie R.; Nebgen, Benjamin T.; White, Alexander J.; Gifford, Brendan J.; Gao, David W.; Prezhdo, Oleg V.; Fernandez-Alberti, Sebastian; Roitberg, Adrian E.; Tretiak, Sergei

Cooperative enhancement of the nonlinear optical response in conjugated energetic materials: A TD-DFT study

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-03-21

OAAI

Sifain, Andrew E.; Tadesse, Loza F.; Bjorgaard, Josiah A.; Chavez, David E.; Prezhdo, Oleg V.; Scharff, R. Jason; Tretiak, Sergei

Photoactive Excited States in Explosive Fe(II) Tetrazine Complexes: A Time-Dependent Density Functional Theory Study

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2016-12-14

PREAI

Sifain, Andrew E.; Bjorgaard, Josiah A.; Myers, Thomas W.; Veauthier, Jackie M.; Chavez, David E.; Prezhdo, Oleg V.; Scharff, R. Jason; Tretiak, Sergei

Communication: Proper treatment of classically forbidden electronic transitions significantly improves detailed balance in surface hopping

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-06-03

OAAI

Sifain, Andrew E.; Wang, Linjun; Prezhdo, Oleg V.

Communication: Global flux surface hopping in Liouville space

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2015-11-17

OAAI

Wang, Linjun; Sifain, Andrew E.; Prezhdo, Oleg V.