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Found 6 papers, 1 papers with code
Quantum materials for energy-efficient neuromorphic computing
Neuromorphic computing approaches become increasingly important as we address future needs for efficiently processing massive amounts of data.
Substrate-controlled dynamics of spin qubits in low dimensional van-der-Waals materials
We report a theoretical study of the coherence dynamics of spin qubits in two-dimensional materials (2DMs) and van-der-Waals heterostructures, as a function of the host thickness and the composition of the surrounding environment.
Quantum Physics Materials Science
Machine Learning Dielectric Screening for the Simulation of Excited State Properties of Molecules and Materials
We show that our approach yields a model for the screening that is transferable between multiple configurations sampled during first principles molecular dynamics simulations; hence it leads to a substantial improvement in the efficiency of calculations of finite temperature spectra.
Interpretable Machine Learning
Materials Science
Chemical Physics
Computational Physics
PyCDFT: A Python package for constrained density functional theory
We present PyCDFT, a Python package to compute diabatic states using constrained density functional theory (CDFT).
Materials Science
Quantum simulations of materials on near-term quantum computers
Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits.
Materials Science Chemical Physics Quantum Physics
