CV
Shashi B. Mishra
Summary
Currently Postdoctoral researcher at Department of Physics, SUNY Binghamton. My research interests include Computational Physics, Machine Learning, and High Performance Computing. I completed my Ph.D. in Physics from IIT Madras, India in 2020.
Education
- Ph.D in computational Physics2020Indian Institute of Technology Madras
- M.S. in Physics2013Utkal University
- B.S. in Physics2011Falkir Mohan University
Work Experience
- Postdoctoral Researcher2023-04-01 -SUNY BinghamtonPhonon-mediated superconductivity, tranport properties of topological materials, and EPW code development
- Postdoctoral Researcher2021-04-01 - 2023-03-31University of California, RiversideFirst principle study of light-induced magnetic phenomena in metals for magnetic switching devices
- Project Officer2020-06-01 - 2021-03-31IIT MadrasDevelopment of TiO2 based materials for gas sensing and solar cell applications
Skills
Programming Languages
- Python
- Fortran
- Matlab
- Bash Script
Computational Software
- Quantum ESPRESSO
- VASP
- ab initio MD
- Gaussian
- Wannier90
- Wannier Berri
- EPW
Publications
- Virtual synthesis of crystals using ab initio MD: Case study on LiFePO42017AIP Conference ProceedingsAb initio molecular dynamics approach for virtual synthesis of crystal structures.
- Quantum well Structure of Double Perovskite Superlattice and Formation of Spin-polarized Two-dimensional Electron gas2018Physical Review BDiscovery of quantum well states and spin-polarized 2D electron gas formation in double perovskite superlattices.
- Quantum-Mechanical Process of Carbonate Complex Formation and Large-scale Anisotropy in the Adsorption Energy of CO2 on Anatase TiO2(001) Surface2018Physical Review MaterialsDetailed quantum mechanical analysis of CO2 carbonate complex formation on TiO2 surfaces.
- Facet Dependent Catalytic Activities of Anatase TiO2 for CO2 Adsorption and Conversion2020Applied Surface ScienceSystematic first-principles study of CO2 interaction with different anatase TiO2 facets.
- Mechanistic Understanding of NO2 Dissociation on a Rutile TiO2(110) Surface2020Journal of Physical Chemistry CElectronic structure study of NO2 dissociation mechanisms on rutile TiO2 surfaces.
- Fluorine Intercalated Graphene: Formation of a Two-dimensional Spin Lattice through Pseudoatomization2020Physical Review MaterialsDiscovery of novel magnetic ordering in fluorine-intercalated graphene.
- Density Functional Theory Studies of Si2BN Nanosheets as Anode Materials for Magnesium Ion Batteries2020ACS Applied Nano MaterialsFirst-principles study of Si2BN nanosheets for magnesium ion battery applications.
- Development of Short and Long-range Magnetic order in Ba2MnTeO62021Scientific ReportsStudy of magnetic ordering in double perovskite frustrated antiferromagnet.
- Electronic Structure of Graphene/TiO2 Interface: Design and Functional Perspectives2021Applied Surface ScienceFirst-principles analysis of graphene/anatase TiO2 heterostructure interfaces.
- Graphdiyne-A promising Cathode Material for Aluminium dual ion Battery2021ACS Applied Energy MaterialsFirst-principles design of graphdiyne as cathode material for aluminum ion batteries.
- Adsorption and Degradation Mechanism of 2,4,6-TNT on TiO2 (110) surface2021Surface ScienceFirst-principles study of TNT adsorption and degradation mechanisms on TiO2 surfaces.
- High energy ion induced modification in TiO2 nanorods2022Nanoscale AdvancesStudy of high energy ion beam effects on TiO2 nanorods structure and properties.
- Work Function of van der Waals Topological Semimetals: Experiment and Theory2022Applied Physics LettersCombined experimental and theoretical study of work functions in topological semimetals.
- Design of Aluminium ion battery with Graphyne host2022Nanoscale AdvancesFirst-principles design of graphyne as anode material for aluminum-ion batteries.
- Spin contribution to the inverse Faraday effect of nonmagnetic metals2023Physical Review BTheoretical investigation of spin contributions to inverse Faraday effect in nonmagnetic metals.
- Specular inverse Faraday effect in transition metals2023Physical Review MaterialsExperimental measurements of inverse Faraday effect using transient ellipsometry.
- Si2BN nanosheets as anchoring cathode material for Al-ion battery2024Journal of Energy StorageFirst-principles design of Si2BN nanosheets as cathode material for aluminum-ion batteries.
- Hydrothermally Grown Halogen-Doped ZnO Nanorods for Photoelectrochemical Water Oxidation2024Journal of Physical Chemistry CCombined experimental and DFT study of halogen-doped ZnO nanorods for water oxidation.
- Stability-superconductivity map for compressed Na-intercalated graphite2024Physical Review BComprehensive phase diagram of superconductivity in compressed sodium-intercalated graphite.
- Electron-phonon vertex correction effect in superconducting H3S2025npj Computational MaterialsFirst implementation of vertex corrections beyond Migdal approximation for superconducting hydrides.
- Inverse Faraday effect in 3d, 4d, and 5d transition metals2025Physical Review BComprehensive first-principles study of inverse Faraday effect across transition metal series.
- Electrostatic Self-assembly Driven Heterojunction of CeO2/g-C3N4 Nanosheets2025ACS Applied Materials & InterfacesHybrid experimental and theoretical study of CeO2/g-C3N4 heterojunction for photocatalysis.
- Cubic BeB2: A metastable p-type conductive material from first principles2025Physical Review BFirst-principles study of cubic BeB2 as a metastable p-type conductive material.
- Defects Dynamics in Photo-Excited CeO2 and their Influence on CO2 Photoreduction2025Advanced Functional MaterialsStudy of defect dynamics in photo-excited CeO2 and their role in CO2 photoreduction.
- Nonadiabatic and anharmonic effects in high-pressure H3S and D3S superconductors2025arXivInvestigation of nonadiabatic and anharmonic effects in high-temperature superconducting hydrides.
- Phonon-limited carrier transport in the Weyl semimetal TaAs2025Physical Review BFirst-principles study of phonon-limited carrier transport in the Weyl semimetal TaAs.
- Comparative study of phonon-limited carrier transport in the Weyl semimetal TaAs family2025
Presentations
- First-order vertex corrections to phonon-mediated superconductivity in H3S and Pb2025APS March Meeting 2025Anaheim, CA, USA
- Stability-superconductivity map for compressed Na-intercalated graphite2025APS March Meeting 2025Anaheim, CA, USA
- First-principles study of phonon-mediated superconductivity beyond the Migdal approximation2024APS March Meeting 2024Minneapolis, MN, USA
- Inverse Faraday effect for transition metals2023APS March Meeting 2023Las Vegas, NV, USA
- Theory of inverse Faraday effect for non-magnetic materials2022APS March Meeting 2022Chicago, IL, USA
- Design and Electronic Structure Analysis of Graphene/Anatase TiO2 (001) Interface2020International Center for Theoretical Physics (ICTP)Trieste, Italy
- Magnetism in fluorine-intercalated graphene2019ICAMM 2019Rennes, France
Teaching
- Electronics Laboratory2015IIT Madras, Department of PhysicsRole: Teaching AssistantDesigned, prepared, and taught Electronics laboratory exercises to 60 Engineering Physics students
- Advanced Physics Laboratory2016IIT Madras, Department of PhysicsRole: Teaching AssistantPrepared and taught Advanced Physics laboratory exercises to 50 Engineering Physics students
- School on Electron-Phonon Physics2024University of Texas, AustinRole: Workshop FacilitatorTA at the School on Electron-Phonon Physics, Many-Body Perturbation Theory, and Computational Workflows
- Quantum ESPRESSO Hands-on2018SRMIST and IIT MadrasRole: Teaching AssistantTA for hands-on exercises on Quantum ESPRESSO at EESTER 2018