F Nazar,ST Moin - 《Molecular Simulation》 被引量: 0发表: 2023年 Mechanism for the reactions of sulfides with hypochlorous acid and N-chlorosulfon-amides: Formation of solvated chlorosulfonium cation and lambda(4)-sulfan... DFT computations have been performed to study the mechanism of the re...
C++ programming and Discrete Particle Simulation courses in March 2016 - MercuryLab, Mon, 1 Feb 2016, 9:01 a.m. 1 message Summer School in Computational Fluid Dynamics (CFD), May 2016, India - Trushar B. Gohil, Mon, 1 Feb 2016, 10:57 a.m. 1 message One Month Evening batch-Cour...
Correspondence toZhun-Yong Ong. About this article Cite this article Ong, ZY., Pop, E. Molecular Dynamics Simulation of Interfacial Thermal Resistance Between a (10,10) Carbon Nanotube and SiO2.MRS Online Proceedings Library1172, 44–53 (2009). https://doi.org/10.1557/PROC-1172-T04-10 ...
► Electrohydrodynamic simulation of a droplet in an electric field using a combination of the front-tracking and boundary element methods ► A physical-constraints-preserving arbitrary Lagrangian-Eulerian discontinuous Galerkin scheme on adaptive quadrilateral meshes for compressible multi-material flows ...
An in-situ transmission electron microscopy straining technique has been used to investigate the dynamics of dislocation-defect interactions in ion-irradia... JS Robach,IM Robertson,BD Wirth,... - 《Philosophical Magazine》 被引量: 133发表: 2003年 Ab-initio simulation of isolated screw dislocations...
Molecular Frontiers Journal (mfj)-Open Access20242023 NANO (nano)20242023 Nano LIFE (Nano LIFE)20242023 Nano Micro Mechanics Review (nmmr)2025 New Mathematics and Natural Computation (nmnc)20242023 Open Systems & Information Dynamics (osid)20242023 ...
We report Grand Canonical Monte Carlo (GCMC) simulation studies of the adsorption and heat of adsorption of simple inert gases in two model microporous materials: aluminophosphates (AℓPO4-5, AℓPO4-8 and VPI-5) and alumina-pillared clays. The intermolecular potentials are spherical Lennard...
2.13. Molecular Dynamics (MD) Simulation of Vaccine Constructs—Receptor Complexes GROMACS 2020 and CHARMM36m force field conducted molecular dynamics (MD) simulations that model extensive biomolecular systems across time using efficient parallel algorithms [57]. The GROMACS software facilitated a 100 ...
1. Molecular dynamics (MD) simulation, which serves as a complement to conventional experiments, can provide important information that cannot be found out in other ways [1]. As computational power...
S.,Lamperski - 《Molecular Simulation》 被引量: 35发表: 2007年 Pricing Bermudan options under Merton jump-diffusion asset dynamics In this paper, a recently developed regression-based option pricing method, the Stochastic Grid Bundling Method (SGBM), is considered for pricing multidime... F Cong...