Pivot Algorithm and Push-off Method for Efficient System Generation of All-Atom Polymer Melts: Application to Hydroxyl-Terminated Polybutadiene

Shock Hugoniot calculations of polymers using quantum mechanics and molecular dynamics

(2012) Tanya L. Chantawansri et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular-level computational investigation of shock-wave mitigation capability of polyurea

(2012) M. Grujicic et al.   JOURNAL OF MATERIALS SCIENCE

Implementing molecular dynamics on hybrid high performance computers – Particle–particle particle-mesh

(2011) W. Michael Brown et al.   COMPUTER PHYSICS COMMUNICATIONS

Dynamic response of phenolic resin and its carbon-nanotube composites to shock wave loading

(2011) B. Arman et al.   JOURNAL OF APPLIED PHYSICS

Molecular dynamics simulations of shock waves in oriented nitromethane single crystals

(2011) Lan He et al.   JOURNAL OF CHEMICAL PHYSICS

Atomistic Molecular Dynamics Simulation of Surface Grafted PMMA

(2011) Markus G. Fröhlich et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Elucidation of the dynamics for hot-spot initiation at nonuniform interfaces of highly shocked materials

(2011) Qi An et al.   PHYSICAL REVIEW B

Implementing molecular dynamics on hybrid high performance computers – short range forces

(2010) W. Michael Brown et al.   COMPUTER PHYSICS COMMUNICATIONS

First-principles and classical molecular dynamics simulation of shocked polymers

(2010) Thomas R. Mattsson et al.   PHYSICAL REVIEW B

Shock-induced melting of (100)-oriented nitromethane: Structural relaxation

(2009) Ali Siavosh-Haghighi et al.   JOURNAL OF CHEMICAL PHYSICS

Shock Wave Induced Decomposition of RDX: Time-Resolved Spectroscopy

(2008) James E. Patterson et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molecular dynamics simulations of detonation instability

(2008) Andrew J. Heim et al.   PHYSICAL REVIEW E

Ultrafast dynamics of heat flow across molecules

(2007) Zhaohui Wang et al.   CHEMICAL PHYSICS