Rui Li

4PUBLICATIONS
96CO-AUTHORS
Geospatial information systems and geospatial data modellingFormal methods for softwareTheoretical quantum chemistryMathematical aspects of general relativity
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Publications (4)

|Oct 23, 2026
Implementation of the Multigrid Gaussian-Plane-Wave Algorithm with GPU Acceleration in PySCF.

|Sep 10, 2026
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.

|Jul 14, 2026
Reactive Chemistry at the Unrestricted Coupled Cluster Level: High-Throughput Calculations for Training Machine Learning Potentials.

|Feb 05, 2025
Periodic GFN1-xTB Tight Binding: A Generalized Ewald Partitioning Scheme for the Klopman-Ohno Function.

Alexander Buccheri, Rui Li, J Emiliano Deustua

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Frequent Collaborators

3 joint publications

Garnet Kin-Lic Chan

1 joint publications

Alexander Buccheri

1 joint publications

J Emiliano Deustua

1 joint publications

S Mohamad Moosavi