Lossless and Lossy Characterization of the State of Perturbed Anharmonic Diatomics: An Information-Theoretic Compaction of Quantum Dynamics. [PDF]
J Chem Theory ComputHamilton JR, Levine RD.
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Multiscale Analysis of Size-Dependent Vibration of Graphene Nanoelectromechanical Resonators. [PDF]
Micromachines (Basel)Li W, Tian W.
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Unveiling GaN Prismatic Edge Dislocations at the Atomic Scale via P-N Theory Combined with DFT. [PDF]
Materials (Basel)Peng L +5 more
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Digital Quantum Simulation of Wavepacket Correlations in a Chemical Reaction. [PDF]
Entropy (Basel)Mohtashim SI, Kais S.
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Benchmarking Orbital-Free Density-Potential Functional Theory of Electrified Metal-Solution Interfaces. [PDF]
J Chem Theory ComputLi C, Wang X, Eikerling M, Huang J.
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Topological data analysis and topological deep learning beyond persistent homology: a review. [PDF]
Artif Intell RevSu Z +7 more
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Morse theoretic signal compression and reconstruction on chain complexes. [PDF]
J Appl Comput TopolEbli S, Hacker C, Maggs K.
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Generalizations of discrete Morse theory
, 2017 We generalize Forman’s discrete Morse theory, on one end by developing a discrete analogue of Morse-Bott theory for CW complexes, motivated by Morse-Bott theory in the smooth setting. On the other, motivated by J-N. Corvellec’s Morse theory for continuous functionals, we generalize Forman’s discrete Morse-floer theory by considering a vector field more
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Non-Markovian Electron Transfer in Ligand-Receptor Complexes: Insights from Non-Gaussian Anharmonic Baths. [PDF]
J Phys Chem BHaseeb MW, Toutounji M.
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