Qiming Sun

9PUBLICATIONS
12CO-AUTHORS
Computational chemistryTheoretical quantum chemistryNumerical computation and mathematical softwareStatistical mechanics in chemistryElectrostatics and electrodynamics
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Publications (9)

|Jun 25, 2026
GPU Accelerated Minimal Auxiliary Basis Approach TDDFT for Large Organic Molecules.

|Jun 11, 2026
Analytic Nonadiabatic Derivative Couplings Using Noncollinear Spin-Flip TDDFT.

|May 15, 2026
Designing quantum chemistry algorithms with just-in-time compilation.

|Jan 30, 2026
Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration.

Zhichen Pu, Xiaojie Wu, Yuanheng Wang

|May 15, 2024
The updates in Libcint 6: More integrals, API refinements, and SIMD optimization techniques.

Qiming Sun

|Dec 08, 2023
Efficient Hartree-Fock exchange algorithm with Coulomb range separation and long-range density fitting.

Qiming Sun

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Frequent Collaborators

2 joint publications

Shichao Sun

2 joint publications

Jordan Ehrman

2 joint publications

Xiaosong Li

2 joint publications

Cheng Fan