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Molecular Dynamics Inc deterministic computational calculations
Deterministic Computational Calculations, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/deterministic/calculations+computational+deterministic/pmc12904003-352-4-9
Average 86 stars, based on 1 article reviews
deterministic computational calculations - by Bioz Stars, 2026-09
86/100 stars

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Article Title: Structure of Cu64.5Zr35.5 metallic glass by reverse Monte Carlo simulations
Article Snippet: Structure of Cu64.5Zr35.5 metallic glass by reverse Monte Carlo simulations X. W. Fang, Li Huang, C. Z. Wang, K. M. Ho, and Z. J. Ding Citation: Journal of Applied Physics 115, 053522 (2014); doi: 10.1063/1.4865164 View online: http://dx.doi.org/10.1063/1.4865164 View Table of Contents: http://scitation.aip.org/content/aip/journal/jap/115/5?ver=pdfcov Published by the AIP Publishing Articles you may be interested in Effects of sub-Tg annealing on Cu64.5Zr35.5 glasses: A molecular dynamics study Appl.. Phys.. Lett.

Article Title: Score Dynamics: Scaling Molecular Dynamics with Picoseconds Time Steps via Conditional Diffusion Model
Article Snippet: The second design decision is to adopt a discrete time approach, predicting the time series { X n Δ t } ( n = 0, 1, ...) rather than relying on a continuous-time ordinary differential equation (ODE, deterministic molecular dynamics) or stochastic differential equations (SDEs, stochastic Langevin dynamics).

Article Title: Evolution and stability of shock waves in dissipative gases characterized by activated inelastic collisions
Article Snippet: DETAILS OF THE MOLECULAR DYNAMICS MODEL The approach we use is a deterministic hard-particle dynamic approach in a 2D environment, akin to the probabilistic approach of the direct simulation Monte Carlo (DSMC) technique [27].

Impedance Spectroscopy:

Article Title: Strong Proton‐Phonon Coupling Drives Fast Ion Transport in Perovskites
Article Snippet: .. The data originate from deterministic computational calculations (DFT, MLIP‐based molecular dynamics, PHONOPY finite‐displacement phonon calculations, NEB calculations) and from single‐run experimental measurements (neutron diffraction, impedance spectroscopy, nuclear resonant vibration spectroscopy). ..

Spectroscopy:

Article Title: Strong Proton‐Phonon Coupling Drives Fast Ion Transport in Perovskites
Article Snippet: .. The data originate from deterministic computational calculations (DFT, MLIP‐based molecular dynamics, PHONOPY finite‐displacement phonon calculations, NEB calculations) and from single‐run experimental measurements (neutron diffraction, impedance spectroscopy, nuclear resonant vibration spectroscopy). ..

Sampling:

Article Title: Hybrid Monte Carlo implementation of the Fourier path integral algorithm.
Article Snippet: Hybrid Monte Carlo implementation of the Fourier path integral algorithm Charusita Chakravarty Citation: The Journal of Chemical Physics 123, 024104 (2005); doi: 10.1063/1.1990114 View online: http://dx.doi.org/10.1063/1.1990114 View Table of Contents: http://scitation.aip.org/content/aip/journal/jcp/123/2?ver=pdfcov Published by the AIP Publishing Articles you may be interested in Erratum: “Path integral Monte Carlo study of quantum hard-sphere solids” [J. Chem.. Phys.139, 044502 (2013)] J. Chem.. Phys.



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