Oscar Grånäs
Senior Lecturer/Associate Professor at Institutionen för fysik och astronomi; Materialteori
- Telephone:
- +46 70 167 97 97
- E-mail:
- oscar.granas@physics.uu.se
- Visiting address:
- Ångströmlaboratoriet, Lägerhyddsvägen 1
- Postal address:
- Box 516
751 20 UPPSALA
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Short presentation
Research Interests: Dynamics of electronic, magnetic and structural degrees of freedom in materials. We develop and use time-dependent density-functional theory to study laser driven dynamics. We aim to advance these methods to treat correlated materials by incorporating aspects of dynamic mean field theory in to the real-time formulation of time-dependent DFT.
Biography
PhD 2012, Docent 2022
Publications
Recent publications
- Heavy element incorporation in nitroimidazole radiosensitizers (2024)
- Nonequilibrium Phonon Dynamics and Its Impact on the Thermal Conductivity of the Benchmark Thermoelectric Material SnSe (2023)
- Optically controlling the competition between spin flips and intersite spin transfer in a Heusler half-metal on sub-100-fs time scales (2023)
- Influence of deuterium-induced volume changes on optical transmission in Fe/V (001) and Cr/V (001) superlattices (2022)
- Element-selective ultrafast magnetization dynamics of hybrid Stoner-Heisenberg magnets (2022)
All publications
Articles
- Heavy element incorporation in nitroimidazole radiosensitizers (2024)
- Nonequilibrium Phonon Dynamics and Its Impact on the Thermal Conductivity of the Benchmark Thermoelectric Material SnSe (2023)
- Optically controlling the competition between spin flips and intersite spin transfer in a Heusler half-metal on sub-100-fs time scales (2023)
- Influence of deuterium-induced volume changes on optical transmission in Fe/V (001) and Cr/V (001) superlattices (2022)
- Element-selective ultrafast magnetization dynamics of hybrid Stoner-Heisenberg magnets (2022)
- Imaging of femtosecond bond breaking and charge dynamics in ultracharged peptides (2022)
- X-ray Induced Fragmentation of Protonated Cystine (2022)
- Ultrafast modification of the electronic structure of a correlated insulator (2022)
- Influence of strain on an ultrafast phase transition (2022)
- Ultrafast manipulation of the NiO antiferromagnetic order via sub-gap optical excitation (2022)
- In Situ Pseudopotentials for Electronic Structure Theory (2021)
- Manipulation of Stacking Order in Td-WTe2 by Ultrafast Optical Excitation (2021)
- Protein orientation in time-dependent electric fields (2021)
- Reproducibility in the unfolding process of protein induced by an external electric field (2021)
- Data-Driven Studies of the Magnetic Anisotropy of Two-Dimensional Magnetic Materials (2021)
- A Perspective on Molecular Structure and Bond-Breaking in Radiation Damage in Serial Femtosecond Crystallography (2020)
- Tailoring the opto-electronic response of graphene nanoflakes by size and shape optimization (2020)
- Femtosecond fragmentation of CS2 after sulfur 1s ionization (2020)
- Transient three-dimensional structural dynamics in 1T -TaSe2 (2020)
- Femtosecond bond breaking and charge dynamics in ultracharged amino acids (2019)
- Impact of Vibrations and Electronic Coherence on Electron Transfer in Flat Molecular Wires (2017)
- Establishing the limits of efficiency of perovskite solar cells from first principles modeling (2016)
- Real-Time TD-DFT with Classical Ion Dynamics (2016)
- Electronic and magnetic properties of single Fe atoms on a CuN surface (2016)
- Correlation effects and orbital magnetism of Co clusters (2016)
- Analytic continuation by averaging Pade approximants (2016)
- Nontrivial order parameter in Sr2IrO4 (2015)
- Exchange parameters of strongly correlated materials (2015)
- Electronic structure, cohesive properties, and magnetism of SrRuO3 (2014)
- Large magnetic anisotropy of Fe2P investigated via ab initio density functional theory calculations (2012)
- Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method (2012)
- A new first principles approach to calculate phonon spectra of disordered alloys (2012)
- Epitaxial Fe films on ZnSe(001): effect of the substrate surface reconstruction on the magnetic anisotropy (2012)
- Route towards finding large magnetic anisotropy in nanocomposites (2011)
- Adaptive Smearing for Brillouin Zone Integration (2011)
- Polarization of an open shell in the presence of spin-orbit coupling (2011)
- Low spin moment due to hidden multipole order from spin-orbital ordering in LaFeAsO (2010)
- Multipole decomposition of LDA+U energy and its application to actinides compounds (2009)
- Itinerant Magnetic Multipole Moments of Rank Five as the Hidden Order in URu2Si2 (2009)
- Microscopic picture of Co clustering in ZnO (2009)
- Electronic structure of Co doped ZnO (2008)
- Inhomogeneity in Co Doped ZnO Diluted Magnetic Semiconductor (2008)
- Influence of Ionization on the Dynamics of Hydrocarbons
- Adaptive smearing for Brillouin zone integration
- Multipolar and orbital ordering in ferro-pnictides
- Multipolar magnetic ordering in actinide dioxides from first-principles calculations
- The role of triakontadipoles in uranium-based magnetic superconductor materials
- Anisotropic melting of ice induced by ultrafast non-thermal heating
- An LDA+DMFT study of the orbital magnetism and total energy properties of the late transition metals: conserving and non-conserving approximations
- Using interfaces to influence thermodynamic properties of metal hydrides
- Tailoring thermodynamic properties of metal hydrides with interfaces
- Radiation damage in a hemoglobin crystal studied with an X-ray free-electron laser
- X-ray Induced Fragmentation of Protonated Cystine
- Analysis of dynamical exchange and correlation in terms of coupled multipoles
- Systematic study of the hidden order in URu2Si2 as a multipolar order
- Orientation before destruction. A multiscale molecular dynamics study
Books
Conferences
