Publications

You can find all my articles on my Google Scholar profile.

*denotes equal contribution

• Atomic scale mechanism of Pt catalyst restructuring under a pressure of gas
  V. Sumaria, L. Nguyen, F. F.Tao, and P. Sautet, ChemRxiv, Cambridge: Cambridge Open Engage; 2022.
  [ChemRxiv], [Pdf]
  

• CO organization at ambient pressure on stepped Pt surfaces: first principles modeling accelerated by neural networks
  V. Sumaria, and P. Sautet, Chem. Sci., 2021, 12, 15543-15555.
  [Journal], [Pdf]
  

• Optimal packing of CO at high coverage on Pt(100) and Pt(111) surfaces
  V. Sumaria, L. Nguyen, F. F.Tao, and P. Sautet, ACS Catal. 2020, 10, 16, 9533–9544
  [Journal], [Pdf]
  

• Quantifying robustness of DFT predicted pathways and activity determining elementary steps for electrochemical reactions
  D. Krishnamurthy, V. Sumaria and V. Viswanathan, J. Chem. Phys. 150, 041717 (2019)
  [Journal], [Pdf]

• Quantifying Confidence in DFT Predicted Surface Pourbaix Diagrams and Associated Reaction Pathways for Chlorine Evolution
  V. Sumaria, D. Krishnamurthy and V. Viswanathan, ACS Catal. 2018, 8, 10, 9034–9042
  [Journal], [Pdf]
  

• Maximal predictability approach for identifying the right descriptors for electrocatalytic reactions
  D. Krishnamurthy, V. Sumaria and V. Viswanathan, J. Phys. Chem. Lett. 2018, 9, 3, 588–595
  [Journal], [Pdf]
  .

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