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Academic Journal

Adaptive Markov state model estimation using short reseeding trajectories.

Subjects: MARKOV processes; MOLECULAR dynamics; ADAPTIVE sampling (Statistics)

  • Source: Journal of Chemical Physics; 1/14/2020, Vol. 152 Issue 2, p1-13, 13p, 10 Graphs

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Academic Journal

Quantitative comparison of adaptive sampling methods for protein dynamics.

Subjects: ADAPTIVE sampling (Statistics); MOLECULAR dynamics; MARKOV processes

  • Source: Journal of Chemical Physics; 12/28/2018, Vol. 149 Issue 24, pN.PAG-N.PAG, 10p, 1 Diagram, 1 Chart, 4 Graphs

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Academic Journal

Vendi sampling for molecular simulations: Diversity as a force for faster convergence and better exploration.

Subjects: MOLECULAR conformation; METASTABLE states; MOLECULAR dynamics

  • Source: Journal of Chemical Physics; 10/14/2023, Vol. 159 Issue 14, p1-11, 11p

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Academic Journal

Constructing first-principles phase diagrams of amorphous LixSi using machine-learning-assisted sampling with an evolutionary algorithm.

Subjects: PHASE diagrams; AMORPHOUS substances; MACHINE learning

  • Source: Journal of Chemical Physics; 6/25/2018, Vol. 148 Issue 24, pN.PAG-N.PAG, 8p, 1 Diagram, 4 Graphs

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Academic Journal

The wetting of H2O by CO2.

Subjects: *CARBON dioxide in water; *STATISTICAL sampling; *MATERIALS science

  • Source: Journal of Chemical Physics. 8/28/2024, Vol. 161 Issue 8, p1-9. 9p.

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Academic Journal

On the connection between dissipative particle dynamics and the Itô-Stratonovich dilemma.

Subjects: CHEMICAL systems; SIMULATION methods & models; LANGEVIN equations

  • Source: Journal of Chemical Physics; 2016, Vol. 144 Issue 8, p084102-1-084102-5, 5p, 3 Graphs

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Academic Journal

Importance sampling for counting statistics in one-dimensional systems.

Subjects: *STATISTICAL sampling; *INDEPENDENT sets; *STATISTICS

  • Source: Journal of Chemical Physics. 8/7/2024, Vol. 161 Issue 5, p1-11. 11p.

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Academic Journal

Eliminating finite-size effects on the calculation of x-ray scattering from molecular dynamics simulations.

Subjects: MOLECULAR dynamics; SOLVATION; RADIAL distribution function

  • Source: Journal of Chemical Physics; 9/28/2023, Vol. 159 Issue 12, p1-16, 16p

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Academic Journal

Homogeneous nucleation of crystalline methane hydrate in molecular dynamics transition paths sampled under realistic conditions.

Subjects: METHANE hydrates; HOMOGENEOUS nucleation; MOLECULAR dynamics

  • Source: Journal of Chemical Physics; 1/28/2023, Vol. 158 Issue 4, p1-12, 12p

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Academic Journal

Piecewise interaction picture density matrix quantum Monte Carlo.

Subjects: DENSITY matrices; BLOCH equations; TEST systems

  • Source: Journal of Chemical Physics; 5/14/2022, Vol. 156 Issue 18, p1-9, 9p

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  • 1-10 of  344 results for ""Sampling (Statistics)""