Sophya Garashchuk

According to our database, Sophya Garashchuk authored at least 3 papers between 2012 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2022

Libra: A modular software library for quantum nonadiabatic dynamics.

Mohammad Shakiba, Brendan Smith, Wei Li, Matthew Dutra, Amber Jain, Xiang Sun, Sophya Garashchuk, Alexey V. Akimov

Softw. Impacts, December, 2022

2014

The hybrid Quantum Trajectory/Electronic Structure DFTB-based approach to Molecular Dynamics.

Lei Wang, James W. Mazzuca, Sophya Garashchuk, Jacek Jakowski

Proceedings of the Annual Conference of the Extreme Science and Engineering Discovery Environment, 2014

2012

Optimization of density functional tight-binding and classical reactive molecular dynamics for high-throughput simulations of carbon materials.

Jacek Jakowski, Bilel Hadri, Steven J. Stuart, Predrag Krstic, Stephan Irle, Dulma Nugawela, Sophya Garashchuk

Proceedings of the 1st Conference of the Extreme Science and Engineering Discovery Environment, 2012