3 papers
physics.comp-ph2022
Uncertainty Driven Active Learning of Coarse Grained Free Energy Models
Blake R. Duschatko, Jonathan Vandermause, Nicola Molinari +1
Coarse graining techniques play an essential role in accelerating molecular simulations of systems with large length and time scales. Theoretically grounded bottom-up models are ap…
cond-mat.mtrl-sci2019
Correlating 3D atomic defects and electronic properties of 2D materials with picometer precision
Xuezeng Tian, Dennis S. Kim, Shize Yang +10
The exceptional electronic, optical and chemical properties of two-dimensional materials strongly depend on the 3D atomic structure and crystal defects. Using Re-doped MoS2 as a mo…
cond-mat.str-el2018
Tracking the quantized information transfer at the edge of a chiral Floquet phase
Blake R. Duschatko, Philipp T. Dumitrescu, Andrew C. Potter
Two-dimensional arrays of periodically driven qubits can host inherently dynamical topological phases with anomalous chiral edge dynamics. These chiral Floquet phases are formally…