16 citations · 22 across the 5 of their papers we have counts for
4 papers · 1 filter
High-performance parallel implementation of high-order coupled-cluster theories
Yu Jin, Christopher Hillenbrand, Timothy C. Berkelbach +1
High-order coupled-cluster theories with iterative triples (CCSDT), perturbative quadruples [CCSDT(Q)], and iterative quadruples (CCSDTQ) provide benchmark-quality correlation ener…
The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project
Qiming Sun, Matthew R Hermes, Xiaojie Wu +100
Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum…
Unified Deep Learning Framework for Many-Body Quantum Chemistry via Green's Functions
Christian Venturella, Jiachen Li, Christopher Hillenbrand +3
Quantum many-body methods provide a systematic route to computing electronic properties of molecules and materials, but high computational costs restrict their use in large-scale a…
Machine Learning Many-Body Green's Functions for Molecular Excitation Spectra
Christian Venturella, Christopher Hillenbrand, Jiachen Li +1
We present a machine learning (ML) framework for predicting Green's functions of molecular systems, from which photoemission spectra and quasiparticle energies at quantum many-body…