E-mail
Phone
Address
Studentská 6231/1b, 708 00 Ostrava - Poruba
Map
Sergiu Arapan, Ph.D.
Function
Main-time employee
(96240 - Modelling for Nanotechnologies Lab)
Faculty/Centre
9600 - IT4Innovations
Profile URL
Contact
Function
Academic position
Researcher
Education
Experience
Senior postdoctoral researcher
International Center in Critical Raw Matreials (ICCRAM), University of Burgos, Spain
(April 2016 - May 2018 )
Postdoctoral researcher
National Institute for Materials Science (NIMS), Tsukuba, Japan
(May 2011 - April 2015)
Postdoctoral researcher
Division of Materials Theory, Department of Physics and Astronomy, Uppsala University, Sweden
(Jan 2010 - April 2011)
Postdoctoral researcher
Applied Material Division, Department of Material Science and Engineering, Royal Institute of Technology in Stockholm, Sweden
(Nov 2008 - Dec 2009)
International Center in Critical Raw Matreials (ICCRAM), University of Burgos, Spain
(April 2016 - May 2018 )
- Structure predicting methods for the discovery and design of new Rare Earth free permanent magnetic materials within the EU-H2020-NMP23-NOVAMAG-GA-686056 project.
- Non-collinear spin-orbit coupling calculations to study the magneto-crystalline anisotropy of uniaxial magnetic structures
Postdoctoral researcher
National Institute for Materials Science (NIMS), Tsukuba, Japan
(May 2011 - April 2015)
- Linear scaling DFT methods and study of properties of SiGe nanostructures (quantum dots and quantum wires systems)
- Molecular dynamics simulations with reactive force-field of doped SiGe nanostructures.
Postdoctoral researcher
Division of Materials Theory, Department of Physics and Astronomy, Uppsala University, Sweden
(Jan 2010 - April 2011)
- DFT+U and hybrid functional methods for studying the formation of O vacancies and electronic charge localization effects in reduced ceria
Postdoctoral researcher
Applied Material Division, Department of Material Science and Engineering, Royal Institute of Technology in Stockholm, Sweden
(Nov 2008 - Dec 2009)
- Ab-initio thermodynamics and phonon calculations for studying dynamical stability under high pressure and temperature conditions of Fe phases at the Earth interior and MgO in the Earth mantle.
Education
Philosophy Degree in Physics
(Nov 2008, Materials Theory, Department of Physics and Astronomy, Uppsala University, Sweden)
Diploma in Physics
(May 1996, Faculty of Physics, Chair of Theoretical Physics, Moldova State University, Moldova
(Nov 2008, Materials Theory, Department of Physics and Astronomy, Uppsala University, Sweden)
- Electronic structure calculation methods
- Classical force-field computational methods
- Ab-initio thermodynamics and phase transitions
Diploma in Physics
(May 1996, Faculty of Physics, Chair of Theoretical Physics, Moldova State University, Moldova
- Theoretical methods based on model Hamiltonians
- Electronic states at the interface in semiconductor heterojunctions and quantum well structures
Research Interests
- High-throughput calculation of various physical properties with ab-initio methods.
- Calculation of the finite temperature phase diagram of magnetic structures from first-principles.
- Structure prediction by using evolutionary algorithms.
- Large scale classical force-field calculations of various systems for technological applications
Other activities
ORCID
Selected Publications
Science & research in VSB-TUO Database