My research interests lie in the domain of emerging and exploratory materials, devices, and technologies, with a primary focus on theoretical modeling and computational simulations. The theoretical development of novel devices typically involves formulating conceptual blueprints and carrying out rigorous mathematical derivations to establish proof-of-concept. Complementing this, computational simulations enable quantitative validation of these theoretical proposals and provide deeper insight into the underlying physical mechanisms.
My research relies on a range of advanced computational and theoretical frameworks, including first-principles calculations based on Density Functional Theory (DFT), density-matrix approaches in Fock space, non-equilibrium Green’s function (NEGF) formalism, and Boltzmann transport theory. These frameworks allow us to investigate electronic structure, and quantum transport phenomena in nanoscale systems and to predict device and transport characteristics from fundamental properties.
Currently, my research focuses on the applications of two-dimensional (2D) materials, quantum dots and related nanostructures in domains such as sensing, energy applications, and nanoelectronic devices. A key objective of my work is to establish structure-property-device relationships that can guide the design of next-generation functional materials and device architectures.
Beyond these areas, I maintain a strong interest in quantum technologies, including devices and algorithms for quantum computation, as well as emerging interdisciplinary fields such as quantum biology. More broadly, my work aims to bridge fundamental physics, materials science, and device engineering to enable predictive modeling and design of future nanoscale technologies.
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A realistic non-local heat engine based on Coulomb-coupled systems. by Singha A. Journal of Applied Physics - (2020)
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Non-local triple quantum dot thermometer based on Coulomb-coupled systems by Dhongade S.G., Haque A.A., Roy S.S., Singha A. Scientific Reports 12 - (2022)
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Density matrix to quantum master equation (QME) model for arrays of Coulomb coupled quantum dots in the sequential tunneling regime. by Singha A. IOP SciNotes 1 - (2020)
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Enhanced thermoelectric performance actuated by inelastic processes in the channel region by Singha A. Physica E 117 - (2019)
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VLSI and Post-CMOS Electronics: Design, modelling and simulation by Singha A. Theory and modelling of spin-transfer-torque based electronic devices - (2019)
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Performance analysis of nanostructured Peltier coolers by Singha A., Muralidharan B. Journal of Applied Physics 124 - (2018)
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Optimized Peltier refrigeration via an array of quantum dots with stair-like ground state energy configuration by Singha A. Physics Letters A 382 3029-3030 (2018)
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Predictive Analysis of Gas Sensing Properties in a Novel 2D Gallium Oxide Phase by Haque A. A., Dhongade S. , Singha A. IEEE Sensors Journal - (2025)
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A first principles study on vacancy-defected and transition metal-doped novel Ga2O2 Monolayers by Dhongade S., Singha A. Journal of Magnetism and Magnetic Materials 617 - (2025)
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Thermometry in dual quantum dot setup with staircase ground state configuration by Barman A., Dhongade S.G., Haque A.A., Banerjee S., Varshney S.K., Singha A. Physica E: Low-Dimensional Systems and Nanostructures 142 - (2022)
- Co-Principal Investigator
Ph. D. Students
Afreen Anamul Haque
Area of Research: First principles simulation and study of materials
Suraj Ghanshyam Dhongade
Area of Research: 2D materials based spintronics
