Welcome!

In the quantum chemistry group at TIFR, we characterize the nature of “one-electron” in many-electron systems — ranging from atoms, molecules to materials — using ab initio theoretical approaches. This has direct implications towards understanding photoelectron spectroscopies and electron transfer process that are fundamental gateways to redox reactions, catalysis and solar-energy capture. Our research involves developing first-principles based theoretical formalisms, algorithms and computer codes that are tailored for modern supercomputers. We closely collaborate with experimental groups to tackle current problems in charge-transfer processes.

If you are interested in joining the group, please refer to the positions page.

People

Principal Investigator

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Vamsee Voora

Reader

Response theory based method development, Fast computation of one-electron properties, Intermolecular interactions

Grad Students

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Bibek Samal

Graduate Student

Electronic structure of liquids, Perovskite modeling

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Pulkit Joshi

Graduate Student

Theory of metastable and driven systems

Alumni

News

  • Oct 2019 : Our paper on core ionization potentials has been accepted in J. Chem. Phys.
  • July 2019: Graduate student Pulkit Joshi has joined the group. Welcome Pulkit!

 

Projects

Theoretical tools for recent advances in photoelectron spectroscopy

Response-theory based method development.

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