Code of Gillespie algorithm.

NIAID Data Ecosystem2026-05-01 收录

随机模拟算法

化学动力学模拟

数据链接：

https://figshare.com/articles/dataset/Code_of_Gillespie_algorithm_/23516670 数据链接链接失效反馈

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资源简介：

This is a C language code for Gillespie algorithm. The default parameters correspond to Fig 2. (C)

创建时间：

2023-06-14

One-node Quadrature Beats Monte Carlo: A Generalized Stochastic Simulation Algorithm

随机模拟算法

数值积分优化

In conventional stochastic simulation algorithms, Monte Carlo integration and curve fitting are merged together and implemented by means of regression. We perform a decomposition of the solution error

NBER2011-01-01 更新60

Values of bond dissociation kinetic parameters.

化学动力学模拟

分子分离

The bond dissociation kinetic parameters used in the MAD model are given here. Values of bond dissociation kinetic parameters.

NIAID Data Ecosystem50

Dataset for Publication: Solvent and field effects on photoinduced ring-opening: dynamics of furan as a case study

化学动力学模拟

非绝热分子动力学

This dataset contains all input files required to perform the AIMS and MCTDH nonadiabatic dynamics simulations of Furan (initial conditions, input files, RMS-PT2 reference wavefunction) and all data p

Zenodo2026-05-23 更新20

H2O Entropy

化学动力学模拟

可降解高分子材料

Raw data for multi-path transition state theory calculationsData for the multi-path transition state theory (MP-TST) calculations performed in "Variable Amine Spacing Determines Depolymerization Rate

Figshare2023-01-19 更新60

Data_Sheet_2_Photo-Induced Coupled Nuclear and Electron Dynamics in the Nucleobase Uracil.ZIP

化学动力学模拟

分子非绝热过程

Photo-initiated processes in molecules often involve complex situations where the induced dynamics is characterized by the interplay of nuclear and electronic degrees of freedom. The interaction of th

NIAID Data Ecosystem30

Code of Gillespie algorithm.

资源简介：

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