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Machine learning meets chemical physics. [PDF]
Journal of Chemical Physics, 2021 Over recent years, the use of statistical learning techniques applied to chemical problems has gained substantial momentum. This is particularly apparent in the realm of physical chemistry, where the balance between empiricism and physics-based theory ...
Michele Ceriotti +2 more
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Chemical physics software [PDF]
Journal of Chemical Physics, 2021 Todd Martinez +2 more
exaly +3 more sources
Proceedings of the National Academy of Sciences of the United States of America, 2017 Xiao He, Ying Wang, Donald G Truhlar
exaly +2 more sources
The intertwined physics of active chemical reactions and phase separation [PDF]
Current Opinion in Colloid & Interface Science, 2022 Phase separation is the thermodynamic process that explains how droplets form in multicomponent fluids. These droplets can provide controlled compartments to localize chemical reactions, and reactions can also affect the droplets' dynamics.
David Zwicker
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Journal of Chemical Physics, 2021 We examine the many open questions that arise for nonadiabatic dynamics in the presence of degenerate electronic states, e.g., for singlet-to-triplet intersystem crossing where a minimal Hamiltonian must include four states (two of which are always ...
Xuezhi Bian +5 more
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Stiff-PINN: Physics-Informed Neural Network for Stiff Chemical Kinetics [PDF]
AAAI Spring Symposium: MLPS, 2020 The recently developed physics-informed neural network (PINN) has achieved success in many science and engineering disciplines by encoding physics laws into the loss functions of the neural network such that the network not only conforms to the ...
Weiqi Ji +4 more
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Tunable Chemical Disorder in Concentrated Alloys: Defect Physics and Radiation Performance.
Chemical Reviews, 2021 The development of advanced structural alloys with performance meeting the requirements of extreme environments in nuclear reactors has been long pursued.
Yanwen Zhang, Y. Osetsky, W. J. Weber
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The scalar chemical potential in cosmological collider physics [PDF]
Journal of High Energy Physics, 2020 Non-analyticity in co-moving momenta within the non-Gaussian bispectrum is a distinctive sign of on-shell particle production during inflation, presenting a unique opportunity for the “direct detection” of particles with masses as large as the ...
Arushi Bodas, Soubhik Kumar, R. Sundrum
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