Dr. Neogi's research is at the interface between the fields of materials physics and thermal sciences and focuses on controlling of vibrational energy transport in a wide variety of systems using analytical methods and numerical tools. Control of phonons, the quanta of lattice vibrations, will enable guided heat conduction in materials, improve thermoelectric energy conversion and stability of quantum states in atom-like defects. The CU Aerospace Nanoscale Transport Modeling (CUantam) Laboratory is also active in employing first principles methods to predict electronic transport properties of experimentally realizable systems. Additionally, the group is focused on developing methods to predict thermal and electronic properties of complex systems of sizes beyond the scope of first principles methods, by employing machine learning techniques, learning from first-principle results.
keywords
Theoretical and Computational Materials Science, Analytical Theory, Classical and Ab initio Molec- ular Dynamics Simulations, Multiscale Methods, Statistical Learning Methods, Quantum Systems, Nanoscale Heat Transport, Electronic Transport, Electron-Phonon Coupling, Vibrations—Waves, Dissipative and Nonlinear Dynamics, Metamaterials, Effect of Defects on Transport, Solid-Solid Interfaces, Solid-Fluid Interfaces, Soft Matter, Composite Systems
