Volker Eyert

Materials Design (France) — France

Physics and Astronomy · Physical Sciences

36h-index4.8kcitations142works2.32yr avg
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Research Topics

Advanced Condensed Matter Physics(26), Magnetic and transport properties of perovskites and related materials(25), Rare-earth and actinide compounds(23), Transition Metal Oxide Nanomaterials(22), Inorganic Chemistry and Materials(22)

Publications142 total

Novel group IVA (A) equiatomic hexagonal nitrides A4N4 (A = C, Si, Ge) with characteristic {A2N2} layered tetrahedra: Crystal chemistry and first-principles calculations
Journal of Solid State Chemistry·2025· 1 cited
Structural, Electronic and Magnetic Properties of Iron Carbonitrides Fec1−X Nx Compounds from first Principles
SSRN Electronic Journal·2025Open Access
Neural network potential for Zr-H
Journal of Nuclear Materials·2024· 5 citedOpen Access
A neural-network potential for aluminum
Computational Materials Science·2024· 3 cited
Machine-learned interatomic potentials: Recent developments and prospective applications
Journal of materials research/Pratt's guide to venture capital sources·2023· 28 citedOpen Access
Novel Ultrahard Extended Hexagonal C10, C14 and C18 Allotropes with Mixed sp2/sp3 Hybridizations: Crystal Chemistry and Ab Initio Investigations
C – Journal of Carbon Research·2023· 13 citedOpen Access
Machine learning for metallurgy V: A neural-network potential for zirconium
Physical Review Materials·2022· 19 citedOpen Access
Structural study and evaluation of thermoelectric properties of single-phase isocubanite (CuFe<sub>2</sub>S<sub>3</sub>) synthesized <i>via</i> an ultra-fast efficient microwave radiation technique
Sustainable Energy & Fuels·2021· 7 citedOpen Access
Nitrided FeNi: Chemical versus magnetovolume effects from ab initio
Journal of Magnetism and Magnetic Materials·2019· 4 cited
Unravelling the Potential of Density Functional Theory through Integrated Computational Environments: Recent Applications of the Vienna Ab Initio Simulation Package in the MedeA® Software
Computation·2018· 8 citedOpen Access
Magnetic Properties of LaAlO3/SrTiO3 Heterostructure Modelled on a Supercomputer
Supercomputing Frontiers and Innovations·2018Open Access
Unconventional aspects of electronic transport in delafossite oxides
Science and Technology of Advanced Materials·2017· 66 citedOpen Access
Pressure–Temperature Phase Diagram of Vanadium Dioxide
Nano Letters·2017· 82 citedOpen Access
Software Platforms for Electronic/Atomistic/Mesoscopic Modeling: Status and Perspectives
Integrating materials and manufacturing innovation·2017· 7 cited
Structural and thermoelectric properties of n-type isocubanite CuFe<sub>2</sub>S<sub>3</sub>
Inorganic Chemistry Frontiers·2016· 45 cited
Computational Materials Engineering: Recent Applications of VASP in the MedeA® Software Environment
Journal of the Korean Ceramic Society·2016· 25 citedOpen Access
Thermal transport in nanostructured electronic materials: ET/ID: Enabling technologies and innovative devices
2016
Analysis of electronic and structural properties of surfaces and interfaces based on LaAlO3 and SrTiO3
arXiv (Cornell University)·2016Open Access
Ectronic and structural reconstructions in LaAlO3/SrTiO3heterointerfaces imposed by oxygen vacancies and hydrogenadatoms
2016
Physical modeling - A new paradigm in device simulation
2015· 25 cited
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Frequent Co-authors

Udo Schwingenschlögl(8), Raymond Frésard(6), Karl-Heinz Höck(5), В. И. Анисимов(5), A. Maignan(5), Karsten Held(4), G. Keller(4), D. Vollhardt(4), Wolfgang Scherer(4), Samir F. Matar(4), H. Tributsch(3), S. Horn(3), Georg Eickerling(3), Manuel Presnitz(3), Rolf‐Dieter Hoffmann(3), Ute Ch. Rodewald(3), Christian Vogt(3), Rainer Pöttgen(3), Ulrich Eckern(3), Andreas Klein(2)