Hydrogen bonding and molecular orientation at the liquid-vapour interface of water
- Flaviu Cipcigan
- V. P. Sokhan
- et al.
- 2015
- Physical Chemistry Chemical Physics
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47 results for Jason Crain
Nonadiabatic Nuclear-Electron Dynamics: A Quantum Computing Approach
- Arseny Kovyrshin
- Mårten Skogh
- et al.
- 2023
- Journal of Physical Chemistry Letters
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
Coarse-grained intermolecular interactions on quantum processors
- Lewis W. Anderson
- Martin Kiffner
- et al.
- 2022
- Physical Review A
Simulation of large molecular systems with electronically-derived forces
- Jony Castangna
- Fausto Martelli
- et al.
- 2021
- Computer Physics Communications
Membrane Binding of Antimicrobial Peptides Is Modulated by Lipid Charge Modification
- Patrick W. Simcock
- Maike Bublitz
- et al.
- 2021
- JCTC
Electronic coarse graining: Predictive atomistic modeling of condensed matter
- Flaviu Cipcigan
- Jason Crain
- et al.
- 2019
- Reviews of Modern Physics
Accelerating molecular discovery through data and physical sciences: Applications to peptide-membrane interactions
- 2018
- Journal of Chemical Physics
Cooperative Modes of Action of Antimicrobial Peptides Characterized with Atomistic Simulations: A Study on Cecropin B
- Ya Wen Hsiao
- Magnus Hedström
- et al.
- 2018
- Journal of Physical Chemistry B
High-response piezoelectricity modeled quantitatively near a phase boundary
- Dennis M. Newns
- Marcelo A. Kuroda
- et al.
- 2017
- Applied Physics Letters