1 citations · 2 across the 4 of their papers we have counts for
6 papers
Equivariant generative diffusion learns and generalizes the structural ensemble of amorphous oxides
Jun Jiang, Ian Berry, James N. Fry +1
Amorphous materials are statistical ensembles rather than definitive structures, and conventional density-functional (DFT) and machine-learned-potential simulations sample only a s…
qdmag: A Python package for simulating nonequilibrium magnetization of molecules using quantum master equations
Shuanglong Liu, Xiao Chen, Andrew Cupo +2
We present qdmag, a computational utility for calculating the magnetization of magnetic molecules in a time-varying external magnetic field by solving a generalized Lindblad quantu…
Tuning the Magnetic Anisotropy Energy of MoS-supported Mn complexes by Electric Field: A First-Principles Study
Shuanglong Liu, Adam V. Bruce, Dmitry Skachkov +2
In this work, we examine low-energy adsorption configurations of four dodecanuclear manganese single-molecule magnets [MnO(OCR)(HO)] (Mn), w…
Machine Learning Assisted Modeling of Amorphous TiO-Doped GeO for Advanced LIGO Mirror Coatings
Jun Jiang, Rui Zhang, Kiran Prasai +4
The mechanical loss angle of amorphous TiO-doped GeO can be lower than 10, making it a candidate for Laser Interferometer Gravitational-wave Observatory (LIGO) mirro…
Simulating decoherence of two coupled spins using the generalized cluster correlation expansion
Xiao Chen, Silas Hoffman, James N. Fry +1
We simulate the coherence of two coupled electron spins interacting with a bath of nuclei using the generalized cluster correlation expansion (gCCE) method. An exchange interaction…
Ferroelectricity in Thin Films
Yun-Peng Wang, J. N. Fry, Hai-Ping Cheng
The existence of ferroelectricity in {} has been a long-standing question for both experimentalists and theorists. In addition to a highly distorted bulk structur…