Yashpal Singh
Also known as: ysingh, singh5y
Central Michigan University, Mississippi State University, Physical Research Laboratory, University of Delhi, E O Lawrence Berkeley National Laboratory
About
My research focuses on developing advanced computational methodologies for electronic structure calculations, emphasizing electron correlation in post-Hartree-Fock methods and self-interaction corrections in density functional theory. I am currently implementing periodic boundary conditions in the FLOSIC (Fermi-Löwdin orbital self-interaction correction) code to enable high-accuracy electronic structure calculations for extended systems using self-interaction-free Wannier functions. This methodological innovation addresses fundamental limitations in conventional density functional approaches and has applications spanning novel electronic materials to biological systems, particularly helical structures where FLOSIC's self-interaction-free framework provides unique computational capabilities unavailable in standard methods.
Employment
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Central Michigan University Research Associate2023 - Present
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Mississippi State University Postdoctoral Associate2021 - 2023
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E O Lawrence Berkeley National Laboratory Postdoc2019 - 2021
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Korea Advanced Institute of Science and Technology Postdoctoral Researcher2015 - 2018
Education
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Physical Research Laboratory Ph.D.2010 - 2015
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University of Delhi MSc Physics2007 - 2009
Projects & Funding
Projects & funding information is unavailable.
Publications (31)
- The rise and fall of stretched bond errors: Extending the analysis of Perdew-Zunger self-interaction corrections of reaction barrier heights beyond the LSDA Save
- Stimuli-responsive photoluminescent copper(I) halides for scintillation, anticounterfeiting, and light-emitting diode applications Save
- The rise and fall of stretched bond errors: Extending the analysis of Perdew-Zunger self-interaction corrections of reaction barrier heights beyond the LSDA Save
- Electronic properties and optical spectra of donor–acceptor conjugated organic polymers Save
- Multiscale Characterization of the Influence of the Organic-Inorganic Interface on the Dielectric Breakdown of Nanocomposites Save
- Pivotal Role of A-Site Cations in Tailoring the Band-Edge States, Optical Properties, and Stability of 0D Hybrid Indium Chlorides Save
- Alloying of Alkali Metals with Tellurene Save
- Alloying of Alkali Metals with Tellurene Save
- Analysis of diagonal G and subspace W approximations within fully self-consistent GW calculations for bulk semiconducting systems Save
- Analysis of diagonal G and subspace W approximations within fully self-consistent GW calculations for bulk semiconducting systems Save