Multiply accelerated ReaxFF molecular dynamics: coupling parallel replica dynamics with collective variable hyper dynamics
出版年份 2019 全文链接
标题
Multiply accelerated ReaxFF molecular dynamics: coupling parallel replica dynamics with collective variable hyper dynamics
作者
关键词
-
出版物
MOLECULAR SIMULATION
Volume 45, Issue 14-15, Pages 1265-1272
出版商
Informa UK Limited
发表日期
2019-08-01
DOI
10.1080/08927022.2019.1646911
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Accelerated ReaxFF Simulations for Describing the Reactive Cross-Linking of Polymers
- (2018) Aniruddh Vashisth et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Pyrolysis of binary fuel mixtures at supercritical conditions: A ReaxFF molecular dynamics study
- (2018) Chowdhury Ashraf et al. FUEL
- eReaxFF: A Pseudoclassical Treatment of Explicit Electrons within Reactive Force Field Simulations
- (2016) Md Mahbubul Islam et al. Journal of Chemical Theory and Computation
- Direct observation of realistic-temperature fuel combustion mechanisms in atomistic simulations
- (2016) Kristof M. Bal et al. Chemical Science
- Accelerated dynamics: Mathematical foundations and algorithmic improvements
- (2015) T. Lelièvre European Physical Journal-Special Topics
- Merging Metadynamics into Hyperdynamics: Accelerated Molecular Simulations Reaching Time Scales from Microseconds to Seconds
- (2015) Kristof M. Bal et al. Journal of Chemical Theory and Computation
- PuReMD-GPU: A reactive molecular dynamics simulation package for GPUs
- (2014) S.B. Kylasa et al. JOURNAL OF COMPUTATIONAL PHYSICS
- Adaptive Accelerated ReaxFF Reactive Dynamics with Validation from Simulating Hydrogen Combustion
- (2014) Tao Cheng et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Determining in situ phases of a nanoparticle catalyst via grand canonical Monte Carlo simulations with the ReaxFF potential
- (2013) Thomas P. Senftle et al. CATALYSIS COMMUNICATIONS
- Algorithms of GPU-enabled reactive force field (ReaxFF) molecular dynamics
- (2013) Mo Zheng et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Connectivity-Based Parallel Replica Dynamics for Chemically Reactive Systems: From Femtoseconds to Microseconds
- (2013) Kaushik L. Joshi et al. Journal of Physical Chemistry Letters
- Catalyzed Growth of Carbon Nanotube with Definable Chirality by Hybrid Molecular Dynamics−Force Biased Monte Carlo Simulations
- (2010) Erik C. Neyts et al. ACS Nano
- Charge-optimized many-body potential for the hafnium/hafnium oxide system
- (2010) Tzu-Ray Shan et al. PHYSICAL REVIEW B
- ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation
- (2008) Kimberly Chenoweth et al. JOURNAL OF PHYSICAL CHEMISTRY A
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started