Teaching a neural network to attach and detach electrons from molecules

por Roman Zubatyuk, Justin S. Smith, Benjamin T. Nebgen, Sergei Tretiak, Olexandr Isayev
Publicado 2021

Reduction of the molecular hamiltonian matrix using quantum community detection

por Susan M. Mniszewski, Pavel A. Dub, Sergei Tretiak, Petr M. Anisimov, Yu Zhang, Christian F. A. Negre
Publicado 2021

Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning

por Justin S. Smith, Benjamin T. Nebgen, Roman Zubatyuk, Nicholas Lubbers, Christian Devereux, Kipton Barros, Sergei Tretiak, Olexandr Isayev, Adrian E. Roitberg
Publicado 2019

Automated discovery of a robust interatomic potential for aluminum

por Justin S. Smith, Benjamin Nebgen, Nithin Mathew, Jie Chen, Nicholas Lubbers, Leonid Burakovsky, Sergei Tretiak, Hai Ah Nam, Timothy Germann, Saryu Fensin, Kipton Barros
Publicado 2021

Computing molecular excited states on a D-Wave quantum annealer

por Alexander Teplukhin, Brian K. Kendrick, Susan M. Mniszewski, Yu Zhang, Ashutosh Kumar, Christian F. A. Negre, Petr M. Anisimov, Sergei Tretiak, Pavel A. Dub
Publicado 2021

Excited-state vibrational dynamics toward the polaron in methylammonium lead iodide perovskite

por Myeongkee Park, Amanda J. Neukirch, Sebastian E. Reyes-Lillo, Minliang Lai, Scott R. Ellis, Daniel Dietze, Jeffrey B. Neaton, Peidong Yang, Sergei Tretiak, Richard A. Mathies
Publicado 2018

Coherent exciton-vibrational dynamics and energy transfer in conjugated organics

por Tammie R. Nelson, Dianelys Ondarse-Alvarez, Nicolas Oldani, Beatriz Rodriguez-Hernandez, Laura Alfonso-Hernandez, Johan F. Galindo, Valeria D. Kleiman, Sebastian Fernandez-Alberti, Adrian E. Roitberg, Sergei Tretiak
Publicado 2018

Light-activated photocurrent degradation and self-healing in perovskite solar cells

por Wanyi Nie, Jean-Christophe Blancon, Amanda J. Neukirch, Kannatassen Appavoo, Hsinhan Tsai, Manish Chhowalla, Muhammad A. Alam, Matthew Y. Sfeir, Claudine Katan, Jacky Even, Sergei Tretiak, Jared J. Crochet, Gautam Gupta, Aditya D. Mohite
Publicado 2016

Highly efficient photoelectric effect in halide perovskites for regenerative electron sources

por Fangze Liu, Siraj Sidhik, Mark A. Hoffbauer, Sina Lewis, Amanda J. Neukirch, Vitaly Pavlenko, Hsinhan Tsai, Wanyi Nie, Jacky Even, Sergei Tretiak, Pulickel M. Ajayan, Mercouri G. Kanatzidis, Jared J. Crochet, Nathan A. Moody, Jean-Christophe Blancon, Aditya D. Mohite
Publicado 2021