Sudarshan Vijay
@sudarshanv01
Assistant Professor, Department of Chemical Engineering @iitbombay electrocatalysis | ab-initio methods | machine learning for materials
Thank you, @CheEnggIITB! The Theoretical Electrocatalysis Group (che.iitb.ac.in/web/faculty/sv/) will focus on developing electronic structure and machine learning methods to understand electrocatalysis at the atomistic level.
Welcoming Prof. Sudarshan Vijay @sudarshanv01 to ChemEngg @iitbombay as Asst Professor. An alumnus of BITS Pilani, PhD frm DTU, & postdoc at UC Berkeley, his research focuses on computational electrocatalysis & electronic structure code development. We wishes him the best 💐
PRB Editors' Suggestion: Efficient periodic #DensityFunctionalTheory calculations of charged molecules & surfaces using Coulomb kernel truncation S. Vijay et al., Phys. Rev. B 112, 045409 ➡️ go.aps.org/4kB4OYX #OpenAccess #EdSugg @APSPhysics #physics #condmat @sudarshanv01
The Theoretical Electrocatalysis Group is looking to recruit two PhD students. Please consider applying if you are interested in scientific programming, machine learning or electrocatalysis. Deadline: April 11. More details at: che.iitb.ac.in/web/faculty/sv/
New pre-print on @arxiv describes our implementation of the Coulomb kernel truncation method in the Vienna ab-initio Simulation Package. We apply this implementation to perform DFT calculations of charged surfaces and molecules! arxiv.org/abs/2501.02435
... and it's live! If you want to hear about the mysteries of "free-atom-like" electronic states in single-atom alloys and intermetallics, check out our work in @ChemicalScience! #MyFirstChemSci pubs.rsc.org/en/content/art… Huge thanks to co-authors @sudarshanv01 and @KPatBerkeley!
New pre-print on @ChemRxiv with @sudarshanv01 and @KPatBerkeley! What if metallic compounds had electronic states not like typical inorganic solids but more like that of a free atom or molecular metal complex? Turns out, such examples may not be so rare! doi.org/10.26434/chemr…
Very interesting Editor's Pick on the binding of adsorbates to transition metal surfaces and the limits of widely used scaling relations from @sudarshanv01, Georg Kastlunger, @karen_chan_ecat, & Jens Nørskov @DTU_CatTheory. #catalysis Read it here! aippub.org/3J9uiLL
New paper! Ab initio study of CO2 reduction on FeNC single-site catalysts: CO2 adsorption and its dipole are critical and tunable descriptors of activity pubs.acs.org/doi/abs/10.102…