Volker Blum

14 papers Journal 14
YearRankTypeTitle / Venue / Authors
2025 J jnl
Zero-Field NMR and Millitesla-SLIC Spectra for >200 Molecules from Density Functional Theory and Spin Dynamics.
J. Chem. Inf. Model.
Iuliia Mandzhieva, Franziska Theiss, Xingtao He, Adam Ortmeier, Anuja Koirala, Stephen J. McBride, Stephen J. Devience, Matthew S. Rosen, Volker Blum, Thomas Theis
2023 J jnl
Atomic Simulation Interface (ASI): application programming interface for electronic structure codes.
J. Open Source Softw.
Pavel V. Stishenko, Thomas W. Keal, Scott M. Woodley, Volker Blum, Benjamin Hourahine, Reinhard Johann Maurer, Andrew J. Logsdail
2021 J jnl
GIMS: Graphical Interface for Materials Simulations.
J. Open Source Softw.
Sebastian Kokott, Iker Hurtado, Christian Vorwerk, Claudia Draxl, Volker Blum, Matthias Scheffler
2021 J jnl
GPU-acceleration of the ELPA2 distributed eigensolver for dense symmetric and hermitian eigenproblems.
Comput. Phys. Commun.
Victor Wen-zhe Yu, Jonathan Moussa, Pavel Kus, Andreas Marek, Peter Messmer, Mina Yoon, Hermann Lederer, Volker Blum
2020 J jnl
ELSI - An open infrastructure for electronic structure solvers.
Comput. Phys. Commun.
Victor Wen-zhe Yu, Carmen Campos, William Dawson, Alberto García, Ville Havu, Ben Hourahine, William P. Huhn, Mathias Jacquelin, Weile Jia, Murat Keçeli, Raul Laasner, Yingzhou Li, Lin Lin, Jianfeng Lu, Jonathan Moussa, José E. Román, Álvaro Vázquez-Mayagoitia, Chao Yang, Volker Blum
2020 J jnl
GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions.
Comput. Phys. Commun.
William P. Huhn, Björn Lange, Victor Wen-zhe Yu, Mina Yoon, Volker Blum
2020 J jnl
MatD^3^: A Database and Online Presentation Package for Research Data Supporting Materials Discovery, Design, and Dissemination.
J. Open Source Softw.
Raul Laasner, Xiaochen Du, Aditya Tanikanti, Connor Clayton, Marco Govoni, Giulia Galli, Matti Ropo, Volker Blum
2018 J jnl
ELSI: A unified software interface for Kohn-Sham electronic structure solvers.
Comput. Phys. Commun.
Victor Wen-zhe Yu, Fabiano Corsetti, Alberto García, William P. Huhn, Mathias Jacquelin, Weile Jia, Björn Lange, Lin Lin, Jianfeng Lu, Wenhui Mi, Ali Seifitokaldani, Álvaro Vázquez-Mayagoitia, Chao Yang, Haizhao Yang, Volker Blum
2015 J jnl
All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals.
Comput. Phys. Commun.
Franz Knuth, Christian Carbogno, Viktor Atalla, Volker Blum, Matthias Scheffler
2015 J jnl
First-Principles Molecular Structure Search with a Genetic Algorithm.
J. Chem. Inf. Model.
Adriana Supady, Volker Blum, Carsten Baldauf
2015 J jnl
Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework.
Comput. Phys. Commun.
Sergey V. Levchenko, Xinguo Ren, Jürgen Wieferink, Rainer Johanni, Patrick Rinke, Volker Blum, Matthias Scheffler
2011 J jnl
Parallel solution of partial symmetric eigenvalue problems from electronic structure calculations.
Parallel Comput.
Thomas Auckenthaler, Volker Blum, Hans-Joachim Bungartz, Thomas Huckle, Rainer Johanni, Lukas Krämer, Bruno Lang, Hermann Lederer, Paul R. Willems
2009 J jnl
Ab initio molecular simulations with numeric atom-centered orbitals.
Comput. Phys. Commun.
Volker Blum, Ralf Gehrke, Felix Hanke, Paula Havu, Ville Havu, Xinguo Ren, Karsten Reuter, Matthias Scheffler
2009 J jnl
Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions.
J. Comput. Phys.
Ville Havu, Volker Blum, Paula Havu, Matthias Scheffler