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Casey N Brock
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Tunable mechanochemistry of lithium battery electrodes
N Muralidharan, CN Brock, AP Cohn, D Schauben, RE Carter, L Oakes, ...
ACS nano 11 (6), 6243-6251, 2017
792017
Implications of the method on polaron properties in energy materials
Z Wang, C Brock, A Matt, KH Bevan
Physical Review B 96 (12), 125150, 2017
432017
Automated generation of highly accurate, efficient and transferable pseudopotentials
RA Hansel, CN Brock, BC Paikoff, AR Tackett, DG Walker
Computer Physics Communications 196, 267-275, 2015
172015
Force-based optimization of pseudopotentials for non-equilibrium configurations
CN Brock, BC Paikoff, I Muhammad, AR Tackett, DG Walker
Computer Physics Communications 201, 106-118, 2016
72016
Metric based on the arctangents of the logderivatives for evaluating scattering properties of pseudopotentials
CN Brock, AR Tackett, DG Walker
Computer Physics Communications 247, 106929, 2020
22020
Low-valency gallium PAW for faster defect calculations in GaN using plane wave DFT
CN Brock, BB Baer, DG Walker
Computational Materials Science 187, 110106, 2021
12021
The diatonic harmonica, pipe resonators, and the siren
CN Brock, JP Cottingham
The Journal of the Acoustical Society of America 130 (4_Supplement), 2343-2343, 2011
12011
Insights into Electrolyte Reactivity and Solid Electrolyte Interphase Formation at the Li Metal Anode Surface from DFT Simulations
G Agarwal, CN Brock, KK Rao, A Fonari, S Tiwari, JL Gavartin, HS Kwak, ...
Electrochemical Society Meeting Abstracts 243, 2889-2889, 2023
2023
Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials
CN Brock
Vanderbilt University, 2019
2019
Optimization of low-valence Ga PAWs for faster DFT calculations of point defects in GaN.
CN Brock, AF Wright, DG Walker
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2018
2018
SENSITIVITY OF THERMAL CONDUCTIVITY CALCULATIONS IN SILICON TO ERRORS IN INTERATOMIC FORCES
CN Brock, MD Gerboth, M Fields, DG Walker
ASTFE Digital Library, 2018
2018
Strain Engineering to Control the Electrochemistry of Battery Electrodes
N Muralidharan, C Brock, G Walker, CL Pint
Electrochemical Society Meeting Abstracts 231, 321-321, 2017
2017
Analytic Models for Temperature Distribution Near a Nanoantenna
CN Brock, G Walker, Z Coppens
Heat Transfer Summer Conference 55478, V001T03A011, 2013
2013
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Articles 1–13