Fundamental aspects of the structural and electrolyte properties of J Howard, ZD Hood, NAW Holzwarth
Physical Review Materials 1 (7), 075406, 2017
55 2017 Insights into Spontaneous Solid Electrolyte Interphase Formation at Magnesium Metal Anode Surface from Ab Initio Molecular Dynamics Simulations G Agarwal, JD Howard, V Prabhakaran, GE Johnson, V Murugesan, ...
ACS Applied Materials & Interfaces 13 (32), 38816-38825, 2021
24 2021 First-principles simulations of the porous layered calcogenides J Howard, NAW Holzwarth
Physical Review B 94 (6), 064108, 2016
17 2016 Tailoring Interfaces in Solid-State Batteries Using Interfacial Thermochemistry and Band Alignment RE Warburton, JJ Kim, S Patel, JD Howard, LA Curtiss, C Wolverton, ...
Chemistry of Materials 33 (21), 8447-8459, 2021
12 2021 First-principles estimation of partition functions representing disordered lattices such as the cubic phases of J Howard, NAW Holzwarth
Physical Review B 99 (1), 014109, 2019
12 2019 Li4SnS4 and Li4SnSe4: Simulations of Their Structure and Electrolyte Properties A Al-Qawasmeh, J Howard, NAW Holzwarth
Journal of The Electrochemical Society 164 (1), A6386, 2017
12 2017 Understanding the Solid-State Electrode–Electrolyte Interface of a Model System Using First-Principles Statistical Mechanics and Thin-Film X-ray Characterization JD Howard, G Evmenenko, JJ Kim, RE Warburton, S Patel, TT Fister, ...
ACS Applied Materials & Interfaces 14 (5), 7428-7439, 2022
6 2022 Insights into the Interaction of Redox Active Organic Molecules and Solvents with the Pristine and Defective Graphene Surfaces from Density Functional Theory JD Howard, RS Assary, LA Curtiss
The Journal of Physical Chemistry C 124 (5), 2799-2805, 2020
6 2020 Analysis of the statistical and convergence properties of ionic transport coefficients with application to the solid electrolyte Li2OHCl JD Howard, NAW Holzwarth
Solid State Ionics 325, 80-89, 2018
6 2018 An SECM‐Based Spot Analysis for Redoxmer‐Electrode Kinetics: Identifying Redox Asymmetries on Model Graphitic Carbon Interfaces R Gaddam, D Sarbapalli, J Howard, LA Curtiss, RS Assary, ...
Chemistry–An Asian Journal, 2022
4 2022 First-principles calculation of the configurational energy density of states for a solid-state ion conductor with a variant of the Wang and Landau algorithm JD Howard
Physical Review E 102 (6), 063304, 2020
1 2020 Calculation of the configurational energy density of states for Li0. 5La0. 5TiO3 utilizing first principles optimizations and a new Wang and Landau algorithm variant. J Howard
APS March Meeting Abstracts 2021, Y16. 005, 2021
2021 Computational Study of the High Ion Conductivity Cubic Phases of Li2 OHX Electrolytes1 for X=Cl and Br J Howard, NA Holzwarth, JH Team
APS March Meeting Abstracts 2018, B20. 006, 2018
2018 First-Principles Simulations of Solid State Battery Materials J Howard
Wake Forest University, 2018
2018 Ab-Initio Study of Li-Ion Electrolyte Li2 (OH) Cl JD Howard, ZD Hood, NAW Holzwarth
ECS Meeting Abstracts, 356, 2017
2017 Computational study of Li2 OHCl as a possible solid state battery material J Howard, NAW Holzwarth
APS March Meeting Abstracts 2017, F38. 008, 2017
2017 Lithiation of Li2 SnO3 and Li2 SnS3 in context of Li-ion battery materials J Howard, NAW Holzwarth
APS March Meeting Abstracts 2016, R52. 005, 2016
2016 Computational Study of Li2SnO3 and Li2SnS3 JD Howard, NAW Holzwarth
ECS Meeting Abstracts, 199, 2015
2015 First-principles simulations of the porous layered calcogenides Li 2 SnO 3 and Li 2 SnS 3 J Howard, NAW Holzwarth
First Principles Simulation of Li2 (OH) Cl J Howard, NAW Holzwarth