Concepedia

Werner Dobrautz

WD

Statistics

Publications

19

Citations

986

H-Index

15

Active since

2018

Affiliations

Max Planck Institute for Solid State Research(Current)

University of Cambridge

Chalmers University of Technology

Instituto de Óptica "Daza de Valdés"

Google DeepMind (United Kingdom)

Werner Dobrautz is an author at Max Planck Institute for Solid State Research specializing in physics, natural sciences, and configuration interaction.

ORCID

Publications per year

2018–2024

19

Publications

19

The OpenMolcas <i>Web</i> : A Community-Driven Approach to Advancing Computational Chemistry

Giovanni Li Manni, Ignacio Fdez. Galván, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2023 · 342 citations · Full text

, , +15

Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approach

Werner Dobrautz, Simon D. Smart, Ali Alavi · The Journal of Chemical Physics · 2019 · 91 citations · Full text

, , +17

Compact numerical solutions to the two-dimensional repulsive Hubbard model obtained via nonunitary similarity transformations

Werner Dobrautz, Hongjun Luo, Ali Alavi · Physical review. B./Physical review. B · 2019 · 69 citations · Full text

, , +16

Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied\nto Iron–Sulfur Clusters

Werner Dobrautz, Oskar Weser, Nikolay A. Bogdanov et al. · Europe PMC (PubMed Central) · 2021 · 68 citations · Full text

, , +17

Compression of Spin-Adapted Multiconfigurational Wave Functions in Exchange-Coupled Polynuclear Spin Systems

Giovanni Li Manni, Werner Dobrautz, Ali Alavi · Journal of Chemical Theory and Computation · 2020 · 64 citations · Full text

, , +16

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