Pioneering Research in
Physics & Computational
Materials Science

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Physicist & educator with 15+ years in computational materials science, nanostructures, and sustainable energy—turning theory into impact.

Research

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Observational Astronomy

Observational astronomy gathers and analyzes data from celestial objects using ground- and space-based telescopes to study the universe’s origin, structure, and evolution. By integrating photometric, spectroscopic, and time-domain observations—often with global collaborators—we validate theories, discover new phenomena, and expand cosmic understanding.

Semiconductor – Sustainable Energy Materials

Meeting future energy needs sustainably demands advanced materials, but discovery is costly and slow. We use predictive quantum chemical modeling to accelerate research in photocatalysis, energy conversion, and storage—optimizing structure, stability, and optical properties. Working closely with experimental partners, we tightly integrate theory and practice to deliver faster, more impactful results.

Organometallic nanostructures for hydrogen storage

Hydrogen is a promising clean energy carrier, but storage remains a challenge. We design and model organometallic nanostructures—tunable, high-surface-area materials that store hydrogen under mild conditions—using quantum simulations and materials informatics. Our goal is to uncover uptake mechanisms and identify materials with high capacity, fast kinetics, and favorable thermodynamics, in close collaboration with experiments.
About Me

I’ve been fortunate to work and study across India, Taiwan, Ireland, Sweden, and the Czech Republic, collaborating with world-class institutions and researchers. Currently, I’m an Assistant Professor at Pimpri Chinchwad University, where I teach physics and continue my research on nanostructures and energy materials. My work blends theory, computation, and experimentation to address some of today’s most pressing energy challenges.

About
My Experiences

Assistant Professor

Pimpri Chinchwad University, Sate, Maval, Pune, Maharashtra, India.

2023 – Present

Senior Postdoc Researcher

University of Ostrava, Ostrava, Czech Republic.

2020 – 2021

Postdoctoral Research Fellow

Linköping University, Norrköping, Sweden.

2017 – 2019

Postdoctoral Research Fellow

Indian Institute of Science Education and Research, Pune, Maharashtra, India.

2014 – 2017

Research Engineer

University College Dublin, Dublin, Ireland.

2012 – 2013

Exchange Student

Institute of Atomic and Molecular Science, Academia Sinica, Taipei, Taiwan. 

2011

Senior Research Fellow (CSIR)

Swami Ramanand Teerth Marathwada University, Nanded, Maharashtra, India.

2008 – 2011 

My Works

Publications Over The Years

I have authored and co-authored a range of peer-reviewed journal articles, conference papers, and book chapters that reflect my dedication to advancing knowledge in my field. My work combines rigorous research methods with practical insights, aiming to bridge theory and real-world application. Each publication represents a step forward in exploring new ideas, solving complex problems, and contributing to meaningful academic dialogue.

Google Scholar
Soumalya Kaluva, Bhagvat Kharat, Nitin Wadnerkar, and Mahadevappa Nagnathappa.
DFT and TD-DFT Study of Many-body and Hydrogen Bonding interactions: Nitrosamine Oligomers.
Nitin Wadnerkar, Viktor Gueskine, Eric Glowacki, and Igor Zozoulenko.
DFT Mechanistic Study on H2O2 Production using an Organic Semiconductor Epindolidione.
Nitin Wadnerkar, Magnus Berggren, and Igor Zozoulenko.
Exploring hydrogen storage in PEDOT: A computational study.
Sachin Rondiya, Nitin Wadnerkar, Yogesh Jadhav, Sandesh Jadkar, Santosh Haram, and Mukul Kabir.
Structural, electronic, and optical properties of Cu2NiSnS4: a combined experimental and theoretical study toward photovoltaic applications.
Niall J English, Mahfujur Rahman, Nitin Wadnerkar, and JMD MacElroy.
Photo-active and dynamical properties of hematite (Fe2O3) water interfaces: an experimental and theoretical study.
Mahfujur Rahman, Nitin Wadnerkar, Niall J English, and JMD MacElroy.
The influence of Ti and Si-doping on the structure, morphology, and photo response properties of Fe2O3 for efficient water-splitting: Insights from experiment and first-principles calculations.
Kevin A McDonnell, Nitin Wadnerkar, Niall J English, Mahfujur Rahman, and Denis Dowling.
Photo-active and optical properties of bismuth ferrite (BiFeO3): an experimental and theoretical study.
Nitin Wadnerkar and Niall J English.
Density functional theory investigations of bismuth vanadate: Effect of hybrid functionals.

Over the years, my work has grown through dedication, collaboration, and global research engagement.

26

Total Publications

14

First Author Pages

730+

Total Citations

Passionate People

The Minds Driving Our Research

The Minds Driving Our Research

Our team brings together diverse expertise in physics, materials science, and computational modeling. We work in close collaboration to tackle challenges in sustainable energy, nanostructures, and advanced materials.

Alongside me, three dedicated PhD fellows contribute their skills and curiosity – driving experiments, refining simulations, and exploring new frontiers in our research. Together, we merge theory and practice to deliver impactful discoveries with real-world applications.

Swati Baykar
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- PhD Fellow
Megha Bodkhe
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- PhD Fellow
Shruti Bansal
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- PhD Fellow