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Updated: Jun 13, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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在大都会以外的玻璃形成液体的蒙特卡洛模拟

Ludovic Berthier1,2, Federico Ghimenti3, Frédéric van Wijland3

  • 1Laboratoire Charles Coulomb (L2C), Université de Montpellier & CNRS (UMR 5221), 34095 Montpellier, France.

The Journal of chemical physics
|September 16, 2024
PubMed
概括

蒙特卡洛模拟有效地研究超冷液体. 先进的算法,像集体移动一样,与标准方法相比,显著加快了玻璃形成液体的模拟.

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Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
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