These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
3. Stability of molecular dynamics simulations of classical systems. Toxvaerd S J Chem Phys; 2012 Dec; 137(21):214102. PubMed ID: 23231212 [TBL] [Abstract][Full Text] [Related]
4. Energy conservation in molecular dynamics simulations of classical systems. Toxvaerd S; Heilmann OJ; Dyre JC J Chem Phys; 2012 Jun; 136(22):224106. PubMed ID: 22713035 [TBL] [Abstract][Full Text] [Related]
5. Self-diffusion of a relativistic Lennard-Jones gas via semirelativistic molecular dynamics. Testa DM; Svensson P; Jackson J; Campbell T; Gregori G Phys Rev E; 2023 May; 107(5-1):054138. PubMed ID: 37329089 [TBL] [Abstract][Full Text] [Related]
6. On the calculation of velocity-dependent properties in molecular dynamics simulations using the leapfrog integration algorithm. Cuendet MA; van Gunsteren WF J Chem Phys; 2007 Nov; 127(18):184102. PubMed ID: 18020625 [TBL] [Abstract][Full Text] [Related]
7. Molecular dynamics algorithm enforcing energy conservation for microcanonical simulations. Salueña C; Avalos JB Phys Rev E Stat Nonlin Soft Matter Phys; 2014 May; 89(5):053314. PubMed ID: 25353921 [TBL] [Abstract][Full Text] [Related]
8. Shadow Hamiltonian in classical NVE molecular dynamics simulations: A path to long time stability. Hammonds KD; Heyes DM J Chem Phys; 2020 Jan; 152(2):024114. PubMed ID: 31941339 [TBL] [Abstract][Full Text] [Related]
9. Refinement of the Optimized Potentials for Liquid Simulations Force Field for Thermodynamics and Dynamics of Liquid Alkanes. Ghahremanpour MM; Tirado-Rives J; Jorgensen WL J Phys Chem B; 2022 Aug; 126(31):5896-5907. PubMed ID: 35914179 [TBL] [Abstract][Full Text] [Related]
10. Kinetic energy definition in velocity Verlet integration for accurate pressure evaluation. Jung J; Kobayashi C; Sugita Y J Chem Phys; 2018 Apr; 148(16):164109. PubMed ID: 29716226 [TBL] [Abstract][Full Text] [Related]
11. Solid-liquid equilibria and triple points of n-6 Lennard-Jones fluids. Ahmed A; Sadus RJ J Chem Phys; 2009 Nov; 131(17):174504. PubMed ID: 19895022 [TBL] [Abstract][Full Text] [Related]
16. Random-batch list algorithm for short-range molecular dynamics simulations. Liang J; Xu Z; Zhao Y J Chem Phys; 2021 Jul; 155(4):044108. PubMed ID: 34340370 [TBL] [Abstract][Full Text] [Related]
17. Role of the first coordination shell in determining the equilibrium structure and dynamics of simple liquids. Toxvaerd S; Dyre JC J Chem Phys; 2011 Oct; 135(13):134501. PubMed ID: 21992318 [TBL] [Abstract][Full Text] [Related]