no code implementations • 4 Apr 2022 • Axel Hoffmann, Shriram Ramanathan, Julie Grollier, Andrew D. Kent, Marcelo Rozenberg, Ivan K. Schuller, Oleg Shpyrko, Robert Dynes, Yeshaiahu Fainman, Alex Frano, Eric E. Fullerton, Giulia Galli, Vitaliy Lomakin, Shyue Ping Ong, Amanda K. Petford-Long, Jonathan A. Schuller, Mark D. Stiles, Yayoi Takamura, Yimei Zhu
Neuromorphic computing approaches become increasingly important as we address future needs for efficiently processing massive amounts of data.
no code implementations • 24 Feb 2021 • Mykyta Onizhuk, Giulia Galli
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
no code implementations • 22 Dec 2020 • Sijia S. Dong, Marco Govoni, Giulia Galli
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
2 code implementations • 16 May 2020 • He Ma, Wennie Wang, Siyoung Kim, Man-Hin Cheng, Marco Govoni, Giulia Galli
We present PyCDFT, a Python package to compute diabatic states using constrained density functional theory (CDFT).
Materials Science
no code implementations • 25 Feb 2020 • He Ma, Marco Govoni, Giulia Galli
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