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Understanding the physical chemistry properties of BaxSr1-xTiO3 using ReaxFF based Molecular Dynamics Simulations

Understanding the physical chemistry properties of BaxSr1-xTiO3 using ReaxFF based Molecular Dynamics Simulations

Project Summary: An understanding of the surface chemistry of substrates used as support for 2D-chalcogenide growth is essential for controlling the synthesis of these materials. As such, we need computational methods that can be used to study the reaction dynamics of these support materials.

Atomic-Level Structure Determines Electron–Phonon Scattering Rates in 2-D Polar Metal Heterostructures

Atomic-Level Structure Determines Electron–Phonon Scattering Rates in 2-D Polar Metal Heterostructures

Project Summary: The performance of nanoscale metals in applications such as plasmonics, photodynamic therapy, and photocatalysis is influenced by their ability to absorb and transduce energy to their surroundings. In this study, we measured the non-equilibrium carrier dynamics in an air-stable 2-D polar metal heterostructures.

Annealing Accelerator for Ising Spin Systems using 2D FETs

Annealing Accelerator for Ising Spin Systems using 2D FETs

Project Summary: Metaheuristic algorithms such as simulated annealing (SA) has been implemented for optimization in combinatorial problems, especially for discreet problems. SA employs a stochastic search, where high-energy transitions (“hill-climbing”) are allowed with a temperature-dependent probability to escape local optima.

Mapping the phase diagram of the quantum anomalous Hall and topological Hall effects

Mapping the phase diagram of the quantum anomalous Hall and topological Hall effects

Project Summary: The interplay between topology in momentum space and topology in real space creates a vibrant playground for studying emergent phenomena in condensed matter physics. Topology in momentum space manifests in nontrivial band structures and is directly revealed by the quantum anomalous Hall effect (QAHE) observed in magnetically-doped topological insulators (TIs).

Fingerprinting 2-Dimensional Polar Metals

Fingerprinting 2-Dimensional Polar Metals

Project Summary: The intercalation of a molecule or ion in a layered structure is key to enhancing energy storage, material conductivity, intercalant structural ordering, and the formation of two-dimensional (2D) superconducting states. The process of intercalation modifies the vibrational energy of the host, which can be monitored non-invasively by Raman spectroscopy.