Shruba Gangopadhyay Ph.D.

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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...

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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Shruba Gangopadhyay Ph.D.

Presentations

Magnetism: what DFT calculations can tell experimentalist

Quick DFT tour of Electron Energy Loss Spectrum (EELS)

SOFC perovskite- DFT work

Magnetism of organometallics with DFT (an alternate approach)

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Hypothesis testing; z test, t-test. f-test

What is Artificial Intelligence | Artificial Intelligence Tutorial For Beginners | Edureka

Pinot: Realtime Distributed OLAP datastore

Software Methods for Sustainable Solutions