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Volker Blum
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2020 – today
- 2023
- [j13]Pavel V. Stishenko
, Thomas W. Keal
Atomic Simulation Interface (ASI): application programming interface for electronic structure codes. J. Open Source Softw. 8(86): 5186 (2023) - 2021
- [j12]Victor Wen-zhe Yu
GPU-acceleration of the ELPA2 distributed eigensolver for dense symmetric and hermitian eigenproblems. Comput. Phys. Commun. 262: 107808 (2021) - [j11]Sebastian Kokott
GIMS: Graphical Interface for Materials Simulations. J. Open Source Softw. 6(57): 2767 (2021) - 2020
- [j10]William P. Huhn
GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions. Comput. Phys. Commun. 254: 107314 (2020) - [j9]Victor Wen-zhe Yu
ELSI - An open infrastructure for electronic structure solvers. Comput. Phys. Commun. 256: 107459 (2020) - [j8]Raul Laasner
MatD^3^: A Database and Online Presentation Package for Research Data Supporting Materials Discovery, Design, and Dissemination. J. Open Source Softw. 5(45): 1945 (2020)
2010 – 2019
- 2018
- [j7]Victor Wen-zhe Yu, Fabiano Corsetti
ELSI: A unified software interface for Kohn-Sham electronic structure solvers. Comput. Phys. Commun. 222: 267-285 (2018) - 2015
- [j6]Franz Knuth, Christian Carbogno
All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals. Comput. Phys. Commun. 190: 33-50 (2015) - [j5]Sergey V. Levchenko
Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework. Comput. Phys. Commun. 192: 60-69 (2015) - [j4]Adriana Supady, Volker Blum
First-Principles Molecular Structure Search with a Genetic Algorithm. J. Chem. Inf. Model. 55(11): 2338-2348 (2015) - 2011
- [j3]Thomas Auckenthaler, Volker Blum
Parallel solution of partial symmetric eigenvalue problems from electronic structure calculations. Parallel Comput. 37(12): 783-794 (2011)
2000 – 2009
- 2009
- [j2]Volker Blum
Ab initio molecular simulations with numeric atom-centered orbitals. Comput. Phys. Commun. 180(11): 2175-2196 (2009) - [j1]Ville Havu, Volker Blum
Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions. J. Comput. Phys. 228(22): 8367-8379 (2009)
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