Martijn Marsman

VASP Software (Austria) — Austria

Physics and Astronomy · Physical Sciences

43h-index12.8kcitations95works1.52yr avg
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Research Topics

Advanced Chemical Physics Studies(31), Magnetic and transport properties of perovskites and related materials(12), Physics of Superconductivity and Magnetism(11), Inorganic Fluorides and Related Compounds(9), Semiconductor materials and devices(8)

Publications95 total

NMR chemical shielding for solid-state systems using spin–orbit coupled ZORA GIPAW
The Journal of Chemical Physics·2025· 2 citedOpen Access
Efficient periodic density functional theory calculations of charged molecules and surfaces using Coulomb kernel truncation
Physical review. B./Physical review. B·2025· 2 citedOpen Access
NMR chemical shielding for solid-state systems using spin-orbit coupled ZORA GIPAW
arXiv (Cornell University)·2025Open Access
Capturing spin-torque effects with a semilocal exchange-correlation functional
arXiv (Cornell University)·2025Open Access
Efficient periodic density functional theory calculations of charged molecules and surfaces using Coulomb kernel truncation
arXiv (Cornell University)·2025· 2 citedOpen Access
Solving Millions of Eigenvectors in Large-Scale Quantum-Many-Body-Theory Computations
2024· 3 citedOpen Access
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
Nature Reviews Physics·2023· 64 citedOpen Access
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
arXiv (Cornell University)·2023· 5 citedOpen Access
Zero-point renormalization of the band gap of semiconductors and insulators using the projector augmented wave method
Physical review. B./Physical review. B·2022· 37 citedOpen Access
Comparing GIPAW with numerically exact chemical shieldings: The role of two-center contributions to the induced current
The Journal of Chemical Physics·2021· 2 citedOpen Access
Electron-Phonon Interactions Using Wannier Functions and the Projector-Augmented-Wave Method
Bulletin of the American Physical Society·2021
Electron-phonon interactions using the projector augmented-wave method and Wannier functions
Physical review. B./Physical review. B·2020· 33 citedOpen Access
Assessing model-dielectric-dependent hybrid functionals on the antiferromagnetic transition-metal monoxides MnO, FeO, CoO, and NiO
Journal of Physics Condensed Matter·2019· 55 citedOpen Access
OpenMP in VASP: Threading and SIMD
International Journal of Quantum Chemistry·2018· 26 citedOpen Access
Charge self-consistent many-body corrections using optimized projected localized orbitals
Journal of Physics Condensed Matter·2018· 50 citedOpen Access
Embedding for bulk systems using localized atomic orbitals
The Journal of Chemical Physics·2017· 22 citedOpen Access
Porting VASP from MPI to MPI+OpenMP [SIMD]
Lecture notes in computer science·2017· 7 cited
Performance of Hybrid MPI/OpenMP VASP on Cray XC40 Based on Intel Knights Landing Many Integrated Core Architecture
2017· 6 cited
Iron as a source of efficient Shockley-Read-Hall recombination in GaN
Applied Physics Letters·2016· 83 citedOpen Access
Reproducibility in density functional theory calculations of solids
Science·2016· 1.6k citedOpen Access
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Frequent Co-authors

Georg Kresse(33), Joachim Paier(8), Cesare Franchini(6), Alessandro Stroppa(5), Andreas Grüneis(5), János G. Ángyán(4), Iann C. Gerber(3), Peter Blaha(3), Laurids Schimka(3), R. Podloucky(3), Silvia Picozzi(3), J. Häfner(3), Manuel Engel(3), Kerstin Hummer(2), Kurt Lejaeghere(2), Stefan Blügel(2), Luigi Genovese(2), Matteo Giantomassi(2), Nicola Marzari(2), Chris J. Pickard(2)