Taylor Barnes
Molecular Sciences Software Institute(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Parallel Computing and Optimization Techniques, Advanced Data Storage Technologies, Advancements in Battery Materials, Advanced Battery Materials and Technologies
Most-Cited Works
- → Coupling between oxygen redox and cation migration explains unusual electrochemistry in lithium-rich layered oxides(2017)665 cited
- → Accurate and systematically improvable density functional theory embedding for correlated wavefunctions(2014)160 cited
- → Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science(2018)102 cited
- → Accurate basis set truncation for wavefunction embedding(2013)98 cited
- → Ab Initio Characterization of the Electrochemical Stability and Solvation Properties of Condensed-Phase Ethylene Carbonate and Dimethyl Carbonate Mixtures(2015)60 cited
- → Improved treatment of exact exchange in Quantum ESPRESSO(2017)52 cited
- → Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs(2021)42 cited
- → Evaluating and Optimizing the NERSC Workload on Knights Landing(2016)22 cited
- → The MolSSI Driver Interface Project: A framework for standardized, on-the-fly interoperability between computational molecular sciences codes(2020)19 cited