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Lori A Burns

6PUBLICATIONS

65CO-AUTHORS

Programming languagesTheoretical quantum chemistryData structures and algorithmsProteomics and metabolomics

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Publications (6)

Sort by Publication Date:

|Dec 02, 2021

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs.

Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick

|Jul 09, 2021

Optimized damping parameters for empirical dispersion corrections to symmetry-adapted perturbation theory.

Jeffrey B Schriber, Dominic A Sirianni, Daniel G A Smith

|May 17, 2020

Psi4 1.4: Open-source software for high-throughput quantum chemistry.

Daniel G A Smith, Lori A Burns, Andrew C Simmonett

|Apr 04, 2020

Efficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theory.

Constance E Warden, Daniel G A Smith, Lori A Burns

|Oct 17, 2019

CrystaLattE: Automated computation of lattice energies of organic crystals exploiting the many-body expansion to achieve dual-level parallelism.

Carlos H Borca, Brandon W Bakr, Lori A Burns

|Nov 04, 2017

The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions.

Lori A Burns, John C Faver, Zheng Zheng

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Frequent Collaborators

6 joint publications

C David Sherrill

5 joint publications

Daniel G A Smith

3 joint publications

Jeffrey B Schriber

2 joint publications

Carlos H Borca

2 joint publications

Uğur Bozkaya

2 joint publications

Andrew C Simmonett

2 joint publications

Jonathon P Misiewicz

2 joint publications

Peter Kraus

2 joint publications

Holger Kruse

2 joint publications

Roberto Di Remigio

Frequent Collaborators

6 joint publications

C David Sherrill

5 joint publications

Daniel G A Smith

3 joint publications

Jeffrey B Schriber

2 joint publications

Carlos H Borca

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