Lori A. Burns

Georgia Institute of Technology — United States

Physics and Astronomy · Physical Sciences

26h-index7.7kcitations80works2.82yr avg
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Research Topics

Advanced Chemical Physics Studies(25), Machine Learning in Materials Science(16), Spectroscopy and Quantum Chemical Studies(10), Photochemistry and Electron Transfer Studies(9), Crystallography and molecular interactions(7)

Publications80 total

pybind/pybind11: Version 3.0.2
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
dftd4/dftd4: DFT-D4 version 4.0.2
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Einsums/Einsums: v1.1.2
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
evaleev/libint: 2.13.1
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
evaleev/libint: 2.13.0
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
eriksen-lab/opentrustregion: v2.0.1
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
evaleev/libint: 2.12.0
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
OpenOrbitalOptimizer─A Reusable Open Source Library for Self-Consistent Field Calculations
The Journal of Physical Chemistry A·2025· 4 citedOpen Access
QCManyBody: A flexible implementation of the many-body expansion
The Journal of Chemical Physics·2024· 2 cited
<scp>Forte</scp>: A suite of advanced multireference quantum chemistry methods
The Journal of Chemical Physics·2024· 16 citedOpen Access
Forte: A Suite of Advanced Multireference Quantum Chemistry Methods
arXiv (Cornell University)·2024Open Access
Roadmap on methods and software for electronic structure based simulations in chemistry and materials
Electronic Structure·2024· 12 citedOpen Access
Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion
The Journal of Chemical Physics·2023· 16 cited
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCE<scp>ngine</scp>): Automation and interoperability among computational chemistry programs
The Journal of Chemical Physics·2021· 41 citedOpen Access
Optimized damping parameters for empirical dispersion corrections to symmetry-adapted perturbation theory
The Journal of Chemical Physics·2021· 19 cited
The <scp>MolSSI</scp> QCA <scp>rchive</scp> project: An open‐source platform to compute, organize, and share quantum chemistry data
Wiley Interdisciplinary Reviews Computational Molecular Science·2020· 88 citedOpen Access
P <scp>SI4</scp> 1.4: Open-source software for high-throughput quantum chemistry
The Journal of Chemical Physics·2020· 925 citedOpen Access
Efficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theory
The Journal of Chemical Physics·2020· 25 cited
LibGuides: Finding Ebooks: Home
2020
The MolSSI QCArchive Project: An Open-Source Platform to Compute, Organize, and Share Quantum Chemistry Data
2020· 34 citedOpen Access
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Frequent Co-authors

C. David Sherrill(29), Daniel G. A. Smith(15), Andrew C. Simmonett(9), Henry F. Schaefer(9), Rollin A. King(9), Francesco A. Evangelista(9), Justin M. Turney(9), T. Daniel Crawford(9), Jeffrey B. Schriber(9), Konrad Patkowski(8), Dominic A. Sirianni(8), Patrick H. Vaccaro(8), Andrew M. James(7), Ashutosh Kumar(7), Benjamin P. Pritchard(7), A. Eugene DePrince(6), Edward G. Hohenstein(6), Asem Alenaizan(6), Daniel Murdock(6), Robert M. Parrish(5)