Concepedia

Werner Dobrautz

WD

18

Publications

882

Citations

15

H-Index

2018

Active since

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 engineering, physics, and natural sciences.

ORCID

Top concepts

Publications per year

2018–2024

18

Publications

18

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 · 286 citations · Full text

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 · 88 citations · Full text

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 · 67 citations · Full text

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 · 62 citations · Full text

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 · 60 citations · Full text

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