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Vidushi Sharma

Postdoctoral Research Associate

Condensed Matter Theory, Density Functional Theory

Vidushi Sharma

Office: TA 03, Bldg 1690, Room 119
Mail Stop: B258
Phone: (505) 667-1631
Fax: (505) 665-2659
Email: vidushi_at_lanl_dot_gov
home page

Research highlight

    I am broadly interested in the theoretical and computational aspects of density functional theory and its time-dependent counterpart. In particular, I am interested in its applications to systems in extreme conditions such as in high energy density settings. I am also interested in quantum condensed matter theory, especially many-body theory, and topological phases of matter.

  • Gerald Brown Prize (Stony Brook University, 2021)
  • APS DCOMP Travel Award (2020)
  • DST INSPIRE Fellowship (Govt. of India, 2010-2013)
  • Sumitomo Fellowship (St. Stephen's College, 2010-2013)
 Educational Background/Employment:
  • Ph.D. (2021) Physics, Stony Brook University
  • B.Sc. Honors (2013) Physics, St. Stephen's College (Univ. of Delhi), India
  • Employment:
    • 2021 -- , Postdoctoral Research Associate, T-1/CNLS
    • June - July 2013, Summer Research Intern, Condensed Matter Theory Group, HRI Allahabad, India
    • May - July 2012, Summer Research Intern, Condensed Matter Theory Group, HRI Allahabad, India

Research Interests:

  • Density Functional Theory Methods and Algorithms
  • Nonadiabatic Molecular Dynamics
  • Time-dependent Density Functional Theory
  • Quantum Condensed Matter Theory

Selected Recent Publications:

  1. Sharma, V.; Collins, L.A.; White, A.J.; Stochastic and Mixed Density Functional Theory within the projector augmented wave formalism for the simulation of warm dense matter, arXiv:2301.12018v1 [physics.comp-ph]. (link)
  2. Sharma, V.; Bein, B.; Lai, A.; Pamuk, B.; Dreyer, C.E.; Fernández-Serra, M.; Dawber, M.; Cooperative Interactions between Surface Terminations Explain Photocatalytic Water Splitting Activity on SrTi, PRX Energy 1, 023002 (2022). (link)
  3. Sharma, V.; Fernández-Serra, M.; Proton-transfer dynamics in ionized water chains using real-time Time Dependent Density Functional Theory, Phys. Rev. Research 2, 043082 (2020). (link)
  4. Cheng, S.; Sharma, V.; Poyraz, A.S.; Wu, L.; Li, X.; Marschilok, A.C.; Takeuchi, E.S.; Takeuchi, K.J.; Fernández-Serra, M.; Zhu, Y.; Water-induced formation of an alkali-ion dimer in cryptomelane nanorods, Chem. Sci. 11, 4991-4998 (2020). (link)
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