Merzuk Kaltak

VASP Software (Austria) — Austria

Physics and Astronomy · Physical Sciences

15h-index1.7kcitations33works3.82yr avg
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Research Topics

Advanced Chemical Physics Studies(7), Physics of Superconductivity and Magnetism(6), Advancements in Battery Materials(3), Machine Learning in Materials Science(3), Electronic and Structural Properties of Oxides(3)

Publications33 total

Constrained random phase approximation: The spectral method
Physical review. B./Physical review. B·2025Open 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
Comparative analysis of methods for calculating Hubbard parameters using cRPA
Physical review. B./Physical review. B·2025· 3 citedOpen Access
Efficient periodic density functional theory calculations of charged molecules and surfaces using Coulomb kernel truncation
arXiv (Cornell University)·2025· 2 citedOpen Access
Density-based long-range electrostatic descriptors for machine learning force fields
The Journal of Chemical Physics·2024· 15 citedOpen Access
Density-Based Long-Range Electrostatic Descriptors - Datasets
arXiv (Cornell University)·2024· 1 citedOpen Access
Machine Learning Density Functionals from the Random-Phase Approximation
Journal of Chemical Theory and Computation·2023· 19 citedOpen Access
Machine learning density functionals from the random-phase approximation
arXiv (Cornell University)·2023Open Access
Minimax isometry method: A compressive sensing approach for Matsubara summation in many-body perturbation theory
Physical review. B./Physical review. B·2020· 38 citedOpen Access
Minimax Isometry Method.
arXiv (Cornell University)·2019· 1 citedOpen Access
Beyond the quasiparticle approximation: Fully self-consistent <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math> calculations
Physical review. B./Physical review. B·2018· 91 citedOpen Access
Self-Consistent $GW$ calculations for semiconductors and insulators
arXiv (Cornell University)·2018· 29 citedOpen Access
Atomic Scale Account of the Surface Effect on Ionic Transport in Silver Hollandite
Chemistry of Materials·2018· 15 citedOpen Access
Visualization of lithium-ion transport and phase evolution within and between manganese oxide nanorods
Nature Communications·2017· 64 citedOpen Access
Interplay of H$_{2}$O and K$^+$ inside the channels of Mn$_{8}$O$_{16}$
Bulletin of the American Physical Society·2017
Modeling of Materials for Energy Storage: A Challenge for Density Functional Theory
Bulletin of the American Physical Society·2017
Cubic scaling<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math>: Towards fast quasiparticle calculations
Physical review. B./Physical review. B·2016· 157 citedOpen Access
Cubic scaling $GW$: towards fast quasiparticle calculations
arXiv (Cornell University)·2016· 13 citedOpen Access
The versatile size analyzing nuclei counter (vSANC)
Aerosol Science and Technology·2016· 8 citedOpen Access
One Dimensional Manganese Oxides As Cathode Materials in Li-Ion Batteries: The Impact of Physicochemical Properties on Electrochemical Performance
ECS Meeting Abstracts·2016
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Frequent Co-authors

Georg Kresse(23), Jiří Klimeš(8), Mariví Fernández-Serra(6), Mark S. Hybertsen(6), Peitao Liu(4), Ciro Taranto(4), A. Toschi(4), Karsten Held(4), Lijun Wu(3), Jianping Huang(3), Amy C. Marschilok(3), Esther S. Takeuchi(3), Kenneth J. Takeuchi(3), Yimei Zhu(3), Martin Schlipf(3), Manuel Grumet(2), Giorgio Sangiovanni(2), Feng Xu(2), Qingping Meng(2), Jessica L. Durham(2)