Breaking the Theoretical Scaling Limit for Predicting Quasiparticle Energies: The Stochastic D Neuhauser, Y Gao, C Arntsen, C Karshenas, E Rabani, R Baer
Physical review letters 113 (7), 076402, 2014
164 2014 Near-field: A finite-difference time-dependent method for simulation of electrodynamics on small scales A Coomar, C Arntsen, KA Lopata, S Pistinner, D Neuhauser
The journal of chemical physics 135 (8), 2011
45 2011 Understanding Local and Macroscopic Electron Mobilities in the Fullerene Network of Conjugated Polymer‐based Solar Cells: Time‐Resolved Microwave Conductivity and Theory JC Aguirre, C Arntsen, S Hernandez, R Huber, AM Nardes, M Halim, ...
Advanced Functional Materials 24 (6), 784-792, 2014
41 2014 Simulation of Proton Transport in Proton Exchange Membranes with Reactive Molecular Dynamics C Arntsen, J Savage, YLS Tse, GA Voth
Fuel Cells 16 (6), 695-703, 2016
34 2016 The hopping mechanism of the hydrated excess proton and its contribution to proton diffusion in water C Arntsen, C Chen, PB Calio, C Li, GA Voth
The Journal of Chemical Physics 154 (19), 2021
23 2021 Modeling molecular effects on plasmon transport: Silver nanoparticles with tartrazine C Arntsen, K Lopata, MR Wall, L Bartell, D Neuhauser
The Journal of chemical physics 134 (8), 2011
22 2011 Development of reactive force fields using ab initio molecular dynamics simulation minimally biased to experimental data C Chen, C Arntsen, GA Voth
The Journal of chemical physics 147 (16), 2017
16 2017 Electron transfer beyond the static picture: A TDDFT/TD-ZINDO study of a pentacene dimer R Reslan, K Lopata, C Arntsen, N Govind, D Neuhauser
The Journal of Chemical Physics 137 (22), 2012
15 2012 Simulation study of the effects of phase separation on hydroxide solvation and transport in anion exchange membranes C Chen, C Arntsen, YLS Tse
The Journal of Chemical Physics 152 (9), 2020
14 2020 On the Role of Dioxane in the Synthesis of In-Derived MOFs CJ Tatebe, S Yusuf, MK Bellas, M Zeller, C Arntsen, DT Genna
Crystal Growth & Design 21 (12), 6840-6846, 2021
8 2021 Direct delocalization for calculating electron transfer in fullerenes C Arntsen, R Reslan, S Hernandez, Y Gao, D Neuhauser
International Journal of Quantum Chemistry 113 (15), 1885-1889, 2013
8 2013 Reactive molecular dynamics models from ab initio molecular dynamics data using relative entropy minimization C Arntsen, C Chen, GA Voth
Chemical physics letters 683, 573-578, 2017
6 2017 Ab initio molecular dynamics study of proton transport in imidazolium-based ionic liquids with added imidazole AA Moses, C Arntsen
Physical Chemistry Chemical Physics 25 (3), 2142-2152, 2023
5 2023 Examining the role of morphology on proton transport in PFSA membranes C Arntsen, J Savage, G Voth
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016 Stochastic GW: Formulation and application to nanoclusters C Arntsen, D Neuhauser, Y Gao, E Rabani, R Baer, C Karshenas
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014
2014 Electronic properties of organic photovoltaic materials C Arntsen
UCLA, 2014
2014 Electron Transfer for Large Molecules through Delocalization R Reslan, S Hernandez, C Arntsen, K Lopata, N Govind, Y Gao, S Tolbert, ...
National Renewable Energy Lab.(NREL), Golden, CO (United States), 2012
2012 TD-Split: Non-adiabatic splitting from a time-dependent linear response excitation of a delocalized ground-state D Neuhauser, R Reslan, C Arntsen, S Hernandez, Y Gao, K Lopata, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 243, 2012
2012 Transfer of electrons in fullerenes: Bridging transport and transfer D Neuhauser, R Reslan, C Arntsen, Y Gao, S Hernandez
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 243, 2012
2012 Electron Transfer for Large Molecules through Delocalization D Neuhauser, R Reslan, S Hernandez, C Arnsen, K Lopata, N Govind, ...
National Renewable Energy Lab.(NREL), Golden, CO (United States), 2012
2012