Sebastian Wouters

P<scp>y</scp>SCF: the Python‐based simulations of chemistry framework

Qiming Sun, Timothy C. Berkelbach, Nick S. Blunt et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2017 · 1.6K citations · Full text

Engineering, Material Simulation, Computational Chemistry +18

OpenMolcas: From Source Code to Insight

Ignacio Fdez. Galván, Morgane Vacher, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2019 · 1.1K citations · Full text

Software Maintenance, Engineering, Software Engineering +23

Recent developments in the P<scp>y</scp>SCF program package

Qiming Sun, Xing Zhang, Samragni Banerjee et al. · The Journal of Chemical Physics · 2020 · 1K citations · Full text

Engineering, Machine Learning, Computational Chemistry +19

The density matrix renormalization group for ab initio quantum chemistry

Sebastian Wouters, Dimitri Van Neck · The European Physical Journal D · 2014 · 295 citations · Full text

Quantum Science, Engineering, Physics +7

A Practical Guide to Density Matrix Embedding Theory in Quantum Chemistry

Sebastian Wouters, Carlos A. Jiménez-Hoyos, Qiming Sun et al. · Journal of Chemical Theory and Computation · 2016 · 257 citations · Full text