Evgeny Blokhin

Materials Science · Physical Sciences

13h-index559citations23works17.32yr avg
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Research Topics

Machine Learning in Materials Science(11), Electronic and Structural Properties of Oxides(10), Magnetic and transport properties of perovskites and related materials(6), X-ray Diffraction in Crystallography(6), Catalytic Processes in Materials Science(5)

Publications23 total

Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Repository for Publications and Research Data (ETH Zurich)·2024· 19 citedOpen Access
Author response for "Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange"
2024
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Digital Discovery·2024· 33 citedOpen Access
Data-driven relationship of atomic structure and physical properties as the holistic view on the materials science fundamentals
arXiv (Cornell University)·2021Open Access
OPTIMADE, an API for exchanging materials data
Repository KITopen (Karlsruhe Institute of Technology)·2021· 91 citedOpen Access
The OPTIMADE Specification
Zenodo (CERN European Organization for Nuclear Research)·2020· 6 citedOpen Access
The PAULING FILE Project and Materials Platform for Data Science: From Big Data Toward Materials Genome
2020· 13 cited
Quantitative trends in 8 properties of inorganic compounds via machine learning
Figshare·2019Open Access
The PAULING FILE Project and Materials Platform for Data Science: From Big Data Toward Materials Genome
2019· 11 cited
Quantitative trends in 8 physical properties of 115000 inorganic compounds gained by machine learning
arXiv (Cornell University)·2018Open Access
The PAULING FILE Project and Materials Platform for Data Science: From Big Data Toward Materials Genome
2018· 12 cited
Theoretical modeling of antiferrodistortive phase transition for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mtext>SrTi</mml:mtext><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>ultrathin films
Physical Review B·2013· 13 cited
A Comparative <i>Ab Initio</i> Thermodynamic Study of Oxygen Vacancies in ZnO and SrTiO<sub>3</sub>: Emphasis on Phonon Contribution
The Journal of Physical Chemistry C·2013· 81 cited
Theoretical modeling of the complexes of iron impurities and oxygen vacancies in SrTiO3
Applied Physics Letters·2013· 32 cited
Ab initio thermodynamic study of defective strontium titanate
OPUS Publication Server of the University of Stuttgart (University of Stuttgart)·2013Open Access
Jahn-Teller effect in the phonon properties of defective SrTiO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>3</mml:mn></mml:msub></mml:math>from first principles
Physical Review B·2012· 60 cited
First-principles phonon calculations of Fe<sup>4+</sup>impurity in SrTiO<sub>3</sub>
Journal of Physics Condensed Matter·2012· 7 cited
Phonon calculations in cubic and tetragonal phases of SrTiO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: A comparative LCAO and plane-wave study
Physical Review B·2011· 95 citedOpen Access
A Comparative Hybrid DFT Study of Phonons in Several SrTiO<sub>3</sub> Phases
Integrated ferroelectrics·2011· 5 cited
HYBRID HF-DFT MODELLING OF WATER ADSORPTION ON (001) SURFACE OF ORTHORHOMBIC AND CUBIC SrHfO<sub>3</sub>
Integrated ferroelectrics·2009· 16 cited
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Frequent Co-authors

R. A. Évarestov(10), E. A. Kotomin(7), Joachim Maier(7), P. Villars(7), Denis Gryaznov(5), Casper Welzel Andersen(5), Matthew L. Evans(5), Andrius Merkys(5), Rickard Armiento(4), G. J. Conduit(4), S. Gražulis(4), Corey Oses(4), Giovanni Pizzi(4), Gian‐Marco Rignanese(4), Markus Scheidgen(4), Cormac Toher(4), Donny Winston(4), Kamal Choudhary(4), Antanas Vaitkus(4), Andrei V. Bandura(4)