Lori A. Burns
Georgia Institute of Technology(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Machine Learning in Materials Science, Spectroscopy and Quantum Chemical Studies, Photochemistry and Electron Transfer Studies, Crystallography and molecular interactions
Most-Cited Works
- → Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability(2017)1,217 cited
- → Psi4: an open‐source ab initio electronic structure program(2011)1,053 cited
- → P SI4 1.4: Open-source software for high-throughput quantum chemistry(2020)948 cited
- → Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies(2014)878 cited
- → Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals(2011)716 cited
- → Revised Damping Parameters for the D3 Dispersion Correction to Density Functional Theory(2016)535 cited
- → Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded Interactions(2010)455 cited
- → Basis set convergence of the coupled-cluster correction, $\delta _{\text{MP2}}^{\text{CCSD(T)}}$δMP2CCSD(T): Best practices for benchmarking non-covalent interactions and the attendant revision of the S22, NBC10, HBC6, and HSG databases(2011)339 cited
- → Comparing Counterpoise-Corrected, Uncorrected, and Averaged Binding Energies for Benchmarking Noncovalent Interactions(2013)212 cited
- → P si 4N um P y : An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development(2018)153 cited