DdcMD: A fully GPU-accelerated molecular dynamics program for the Martini force field
- Xiaohua Zhang
- Shiv Sundram
- et al.
- 2020
- Journal of Chemical Physics
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TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo
- Kousuke Nakano
- Claudio Attaccalite
- et al.
- 2020
- Journal of Chemical Physics
CP2K: An electronic structure and molecular dynamics software package -Quickstep: Efficient and accurate electronic structure calculations
- Thomas D. Kühne
- Marcella Iannuzzi
- et al.
- 2020
- Journal of Chemical Physics
Fundamental understanding of chemical processes in extreme ultraviolet resist materials
- Oleg Kostko
- Bo Xu
- et al.
- 2018
- Journal of Chemical Physics
Characterizing fluorocarbon assisted atomic layer etching of Si using cyclic Ar/C4F8 and Ar/CHF3 plasma
- Dominik Metzler
- Chen Li
- et al.
- 2016
- Journal of Chemical Physics
Density-functional theory computer simulations of CZTS0.25Se0.75 alloy phase diagrams
- Evgueni Chagarov
- Kasra Sardashti
- et al.
- 2016
- Journal of Chemical Physics
Ag2ZnSn(S,Se)4: A highly promising absorber for thin film photovoltaics
- Evgueni Chagarov
- Kasra Sardashti
- et al.
- 2016
- Journal of Chemical Physics
Communication: Regularizing binding energy distributions and thermodynamics of hydration: Theory and application to water modeled with classical and ab initio simulations
- Valéry Weber
- Safir Merchant
- et al.
- 2011
- Journal of Chemical Physics
Communication: Simple self-correlation corrections to the Ragot-Cortona model of local correlation energy
- Śbastien Ragot
- 2010
- Journal of Chemical Physics
A quantum computing implementation of nuclearelectronic orbital (NEO) theory: Toward an exact pre-Born-Oppenheimer formulation of molecular quantum systems
- Arseny Kovyrshin
- Mårten Skogh
- et al.
- 2023
- Journal of Chemical Physics