Personal Information
Unternehmen/Arbeitsplatz
San Francisco Bay Area United States
Beruf
Material Modelling, Quantum Chemistry, & Physics, Semiconductor, Thin Film, Reaction Pathway (molecules & materials)
Branche
Education
Info
I am an experienced computational material scientist, who is interested not just to replicate experimental results, but to give experimentalists the insight can not be obtained from experiments.
Currently working on ( Advisor Prof. D. Donadio) , combining molecular dynamics, electronic structures, and database modeling for materials relevant for energy applications
Projects includes
Adviser: Professor W. E. Pickett (UC Davis, Physics)
1. Understanding electronic and magnetics of complex metal oxides under high pressure, electronic structure of oxide interfaces, non linear magnetism, spin orbit coupling related phenomenon (Experimental collaborator: Professor N.Curro ( UC Davis), Pro...
Tags
spin
dft+u
crystal field
catalysis
organometallics
molecular magnets.
metal-ligand bonding
gaussian
magnetism
quantum espresso
3d metals and lanthanide
spin-orbit coupling
oxide films
metal -insulator transition
surface magnetism
high pressure phase of oxide
tem spectroscopy
wien2k
dft
eels
core-electron
phase stability of oxide
oxygen vacancy
nudged elastic band (neb)
doped peovskite
solid oxide fuel cell
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Personal Information
Unternehmen/Arbeitsplatz
San Francisco Bay Area United States
Beruf
Material Modelling, Quantum Chemistry, & Physics, Semiconductor, Thin Film, Reaction Pathway (molecules & materials)
Branche
Education
Info
I am an experienced computational material scientist, who is interested not just to replicate experimental results, but to give experimentalists the insight can not be obtained from experiments.
Currently working on ( Advisor Prof. D. Donadio) , combining molecular dynamics, electronic structures, and database modeling for materials relevant for energy applications
Projects includes
Adviser: Professor W. E. Pickett (UC Davis, Physics)
1. Understanding electronic and magnetics of complex metal oxides under high pressure, electronic structure of oxide interfaces, non linear magnetism, spin orbit coupling related phenomenon (Experimental collaborator: Professor N.Curro ( UC Davis), Pro...
Tags
spin
dft+u
crystal field
catalysis
organometallics
molecular magnets.
metal-ligand bonding
gaussian
magnetism
quantum espresso
3d metals and lanthanide
spin-orbit coupling
oxide films
metal -insulator transition
surface magnetism
high pressure phase of oxide
tem spectroscopy
wien2k
dft
eels
core-electron
phase stability of oxide
oxygen vacancy
nudged elastic band (neb)
doped peovskite
solid oxide fuel cell
Mehr anzeigen