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View article: Thermodynamically Informed Multimodal Learning of High-Dimensional Free Energy Models in Molecular Coarse Graining
Thermodynamically Informed Multimodal Learning of High-Dimensional Free Energy Models in Molecular Coarse Graining Open
We present a differentiable formalism for learning free energies that is capable of capturing arbitrarily complex model dependencies on coarse-grained coordinates and finite-temperature response to variation of general system parameters. T…
View article: Thermodynamically Informed Multimodal Learning of High-Dimensional Free Energy Models in Molecular Coarse Graining
Thermodynamically Informed Multimodal Learning of High-Dimensional Free Energy Models in Molecular Coarse Graining Open
We present a differentiable formalism for learning free energies that is capable of capturing arbitrarily complex model dependencies on coarse-grained coordinates and finite-temperature response to variation of general system parameters. T…
View article: Uncertainty driven active learning of coarse grained free energy models
Uncertainty driven active learning of coarse grained free energy models Open
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 appealing due to their thermodynamic consistency with the und…
View article: Uncertainty Driven Active Learning of Coarse Grained Free Energy Models
Uncertainty Driven Active Learning of Coarse Grained Free Energy Models Open
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 appealing due to their thermodynamic consistency with the und…
View article: Uncertainty Driven Active Learning of Coarse Grained Free Energy Models
Uncertainty Driven Active Learning of Coarse Grained Free Energy Models Open
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 appealing due to their thermodynamic consistency with the und…
View article: Atomic Electron Tomography: Past, Present and Future
Atomic Electron Tomography: Past, Present and Future Open
Journal Article Atomic Electron Tomography: Past, Present and Future Get access Jianwei Miao, Jianwei Miao University of California Los Angeles, Los Angeles, California, United States Search for other works by this author on: Oxford Academ…
View article: Determining the 3D Atomic Coordinates and Crystal Defects in 2D Materials with Picometer Precision
Determining the 3D Atomic Coordinates and Crystal Defects in 2D Materials with Picometer Precision Open
Journal Article Determining the 3D Atomic Coordinates and Crystal Defects in 2D Materials with Picometer Precision Get access Xuezeng Tian, Xuezeng Tian Department of Physics & Astronomy and California NanoSystems Institute, University of …
View article: Correlating 3D atomic defects and electronic properties of 2D materials with picometer precision
Correlating 3D atomic defects and electronic properties of 2D materials with picometer precision Open
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 model, here we develop scanning atomic electron tomography (s…
View article: Tracking the quantized information transfer at the edge of a chiral Floquet phase
Tracking the quantized information transfer at the edge of a chiral Floquet phase Open
Two-dimensional arrays of periodically driven qubits can host inherently\ndynamical topological phases with anomalous chiral edge dynamics. These chiral\nFloquet phases are formally characterized by a dynamical topological invariant,\nthe …