activity
20202022
most citedRecent developments in the PySCF program package

1.2k citations · 1.7k across the 7 of their papers we have counts for

collaborators

7 papers

quant-ph2022★ 6 cited

Simulating challenging correlated molecules and materials on the Sycamore quantum processor

Ruslan N. Tazhigulov, Shi-Ning Sun, Reza Haghshenas +6

Simulating complex molecules and materials is an anticipated application of quantum devices. With strong quantum advantage demonstrated in artificial tasks, we examine how such adv…

quant-ph2022★ 181 cited

Experimental Realization of a Measurement-Induced Entanglement Phase Transition on a Superconducting Quantum Processor

Jin Ming Koh, Shi-Ning Sun, Mario Motta +1

Ergodic quantum many-body systems undergoing unitary dynamics evolve towards increasingly entangled states characterized by an extensive scaling of entanglement entropy with system…

cond-mat.mtrl-sci2022★ 14 cited

High-field transport and hot electron noise in GaAs from first principles: role of two-phonon scattering

Peishi S. Cheng, Jiace Sun, Shi-Ning Sun +2

High-field charge transport in semiconductors is of fundamental interest and practical importance. While the \textit{ab initio} treatment of low-field transport is well-developed,…

quant-ph2021★ 16 cited

Efficient Quantum Simulation of Open Quantum System Dynamics on Noisy Quantum Computers

Shin Sun, Li-Chai Shih, Yuan-Chung Cheng

Quantum simulation represents the most promising quantum application to demonstrate quantum advantage on near-term noisy intermediate-scale quantum (NISQ) computers, yet available…

quant-ph2021★ 158 cited

Digital quantum simulation of open quantum systems using quantum imaginary time evolution

Hirsh Kamakari, Shi-Ning Sun, Mario Motta +1

Quantum simulation on emerging quantum hardware is a topic of intense interest. While many studies focus on computing ground state properties or simulating unitary dynamics of clos…

quant-ph2020★ 117 cited

Quantum Computation of Finite-Temperature Static and Dynamical Properties of Spin Systems Using Quantum Imaginary Time Evolution

Shi-Ning Sun, Mario Motta, Ruslan N. Tazhigulov +3

Developing scalable quantum algorithms to study finite-temperature physics of quantum many-body systems has attracted considerable interest due to recent advancements in quantum ha…

physics.chem-ph2020★ 1.2k cited

Recent developments in the PySCF program package

Qiming Sun, Xing Zhang, Samragni Banerjee +46

PYSCF is a Python-based general-purpose electronic structure platform that both supports first-principles simulations of molecules and solids, as well as accelerates the developmen…