activity
20092024
most citedRecent developments in the PySCF program package

1.2k citations · 4.5k across the 46 of their papers we have counts for

collaborators
Showing 2020Show all

5 papers · 1 filter

physics.ed-ph2020★ 98 cited

Achieving a quantum smart workforce

Clarice D. Aiello, D. D. Awschalom, Hannes Bernien +29

Interest in building dedicated Quantum Information Science and Engineering (QISE) education programs has greatly expanded in recent years. These programs are inherently convergent,…

quant-ph2020★ 10 cited

Custom fermionic codes for quantum simulation

Riley W. Chien, James D. Whitfield

Simulating a fermionic system on a quantum computer requires encoding the anti-commuting fermionic variables into the operators acting on the qubit Hilbert space. The most familiar…

physics.comp-ph2020★ 9 cited

Limitations of Hartree-Fock with quantum resources

Sahil Gulania, James Daniel Whitfield

The Hartree-Fock problem provides the conceptual and mathematical underpinning of a large portion of quantum chemistry. As efforts in quantum technology aim to enhance computationa…

physics.pop-ph2020

Understanding the Schrodinger equation as a kinematic statement: A probability-first approach to quantum

James Daniel Whitfield

Quantum technology is seeing a remarkable explosion in interest due to a wave of successful commercial technology. As a wider array of engineers and scientists are needed, it is ti…

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…