
Inverse Design of 2D Quantum Materials
Developing design principles and descriptors for discovering materials with targeted electronic functionalities.
Explore researchGupta Research Group UCF
We combine quantum-mechanical simulations and machine learning to design two-dimensional materials for future technologies.
Explore Our ResearchMaterials are the foundation of every electronic system.
We are an interdisciplinary group addressing fundamental challenges in two-dimensional materials for next-generation quantum and electronic technologies. Our research spans the full materials-to-device pathway: discovering materials with targeted functionalities, predicting how they can be synthesized, and understanding how they can be integrated into functional devices—reducing reliance on trial-and-error experimentation.
Working at the intersection of computational physics, materials science, quantum chemistry, and electronics, we develop and apply atomistic simulation approaches to uncover emergent electronic phenomena in two-dimensional materials, design predictive synthesis pathways, identify high-performance defects for spin-photonic qubits, and understand interfacial phenomena critical to advanced microelectronics.
Our Research

Developing design principles and descriptors for discovering materials with targeted electronic functionalities.
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Understanding the mechanisms and pathways that govern materials formation to develop predictive approaches for materials synthesis.
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Engineering defects and interfaces to control and create functional properties and devices for quantum and electronic applications.
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Meet the PI
Assistant Professor
NanoScience Technology Center
Department of Materials Science and Engineering
University of Central Florida
Publications
Complete Publication Record
Google Scholar01 / 08
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We welcome students and researchers interested in computational materials science, two-dimensional quantum materials, synthesis science, and defect and interface engineering.
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