Fang Liu

5PUBLICATIONS
48CO-AUTHORS
Programming languagesChemical thermodynamics and energeticsTheoretical quantum chemistry
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Publications (5)

|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
Quantum chemistry for molecules at extreme pressure on graphical processing units: Implementation of extreme-pressure polarizable continuum model.

Ariel Gale, Eugen Hruska, Fang Liu

|Mar 16, 2021
Analytical derivatives of the individual state energies in ensemble density functional theory. II. Implementation on graphical processing units (GPUs).

Fang Liu, Michael Filatov, Todd J Martínez

|Apr 22, 2019
Non-empirical, low-cost recovery of exact conditions with model-Hamiltonian inspired expressions in jmDFT.

Akash Bajaj, Fang Liu, Heather J Kulik

|Jul 24, 2017
Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalism.

Michael Filatov, Fang Liu, Todd J Martínez

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Frequent Collaborators

3 joint publications

Todd J Martínez

2 joint publications

Heather J Kulik

1 joint publications

Ariel Gale

1 joint publications

Eugen Hruska