Mudit Dixit

Mudit Dixit

Assistant Professor of Chemistry, BITS Pilani, Hyderabad Campus

Biography

We apply Computational Chemistry and Machine Learning methods to discover materials with improved performance for energy and environmental applications. Our research guides experiments by providing atomic-level insights employing principles of Quantum Chemistry, Thermodynamics, Electrochemistry and Catalysis.

Interests

  • Electrochemical Energy Storage
  • Computational Catalysis
  • Machine Learning for Chemistry

Education & Research

  • Postdoctoral Researcher, 2017 - 2019

    University of Pittsburgh, USA

  • Postdoctoral Fellow, 2013 - 2016

    Bar-Ilan University, Israel

  • Ph.D. in Computational Chemistry, 2008-2013

    CSIR-National Chemical Lab, Pune

First-principles Calculations

Plane-wave DFT and ab-initio

Batteries

Rechargeable Batteries

Catalysis

Reaction Dynamics and Kinetics

machine learning

Supervised Learning

python

for business

Nanomaterials

Electrocatalysis

Meet the Team

Principal Investigator

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Mudit Dixit

Ph.D.

Electrochemical Energy Storage, Computational Catalysis, Machine Learning for Chemistry

Graduate Students

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Priti Singh

JRF(SERB), LPU, India

Computational Electrochemical Energy

Visiting Students

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Amrita Gogoi

PhD Candidate, IISER, Kolkata

Computational Catalysis, Hydroden storage

Covers

Journal front cover

ACS Catalysis Cover

My work titled “work titled “Structure–Activity Relationships in Alkane Dehydrogenation on γ-Al2O3: Site-Dependent Reactions” being featured in the front cover of ACS Catalysis. Cover Link

Structure–Activity Relationships

Cat. Sci. Tech. Cover

My work titled “Elucidating the role of oxygen coverage in CO2 reduction on Mo2C” been selected as hot article for 2017 and featured in the front cover of Catalysis Science and Technology. Cover Link

JES Cover

My work has been selected to be highlighted on the front cover of Journal of The Electrochemical Society. Cover Link

Awards

Planning and Budgeting Committee (PBC) Postdoctoral fellowship

A fellowship program for outstanding postdoctoral researchers

International Travel Grant

For delivering an invited talk

Junior Research Fellowship (JRF)

Awarded by Council of Scientific and Industrial Research (CSIR), India

Recent Publications

Assessing the viability of K-Mo 2 C for reverse water-gas shift scale-up: Molecular to laboratory to pilot scale

Assessing the viability of K-Mo 2 C for reverse water-gas shift scale-up: Molecular to laboratory to pilot scale

Layered Cathode Materials for Lithium-Ion Batteries: Review of Computational Studies on LiNi1-x-yCoxMnyO2 and LiNi1-x-yCoAlyO2

Layered Cathode Materials for Lithium-Ion Batteries: Review of Computational Studies on LiNi1-x-yCoxMnyO2 and LiNi1-x-yCoAlyO2

Review of Computational Studies of NCM Cathode Materials for Li-ion Batteries

Review of Computational Studies of NCM Cathode Materials for Li-ion Batteries

Predicting Metal--Support Interactions in Oxide-Supported Single-Atom Catalysts

Predicting Metal--Support Interactions in Oxide-Supported Single-Atom Catalysts

The role of nanoparticle size and ligand coverage in size focusing of colloidal metal nanoparticles

The role of nanoparticle size and ligand coverage in size focusing of colloidal metal nanoparticles

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