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The Journal of Physical Chemistry Letters|April 20, 2019
General Trend of a Negative Li Effective Charge in Ionic Liquid ElectrolytesNicola Molinari, Jonathan P Mailoa, Boris KozinskyNature Communications|November 23, 2024
3T-VASP: fast ab-initio electrochemical reactor via multi-scale gradient energy minimizationJonathan P Mailoa, Xin Li, Shengyu ZhangJournal of Visualized Experiments : Jove|September 8, 2025
Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy MinimizationJonathan P Mailoa, Xin Li, Zhengmi Tang, et al.Journal of Chemical Theory and Computation|June 15, 2023
TenCirChem: An Efficient Quantum Computational Chemistry Package for the NISQ EraWeitang Li, Jonathan Allcock, Lixue Cheng, et al.Nature Communications|May 4, 2022
E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentialsSimon Batzner, Albert Musaelian, Lixin Sun, et al.Nature Communications|July 28, 2019
Role of solvent-anion charge transfer in oxidative degradation of battery electrolytesEric R Fadel, Francesco Faglioni, Georgy Samsonidze, et al.ACS Macro Letters|May 27, 2022
Relationship between Segmental Dynamics Measured by Quasi-Elastic Neutron Scattering and Conductivity in Polymer ElectrolytesKatrina Irene S Mongcopa, Madhusudan Tyagi, Jonathan P Mailoa, et al.Advanced Materials (Deerfield Beach, Fla.)|May 28, 2014
Atomic layer deposited gallium oxide buffer layer enables 1.2 V open-circuit voltage in cuprous oxide solar cellsYun Seog Lee, Danny Chua, Riley E Brandt, et al.Nature Communications|January 4, 2014
Room-temperature sub-band gap optoelectronic response of hyperdoped siliconJonathan P Mailoa, Austin J Akey, Christie B Simmons, et al.Plos One|July 20, 2021
A community-powered search of machine learning strategy space to find NMR property prediction modelsLars A Bratholm, Will Gerrard, Brandon Anderson, et al.Pageof 1