GALAMOST: GPU-accelerated large-scale molecular simulation toolkit

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born

(2012) Andreas W. Götz et al.   Journal of Chemical Theory and Computation

Hybrid particle-field molecular dynamics simulations: Parallelization and benchmarks

(2012) Ying Zhao et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Dynamic Compression of in Situ Grown Living Polymer Brush: Simulation and Experiment

(2012) K. Jalili et al.   MACROMOLECULES

Computer Simulation of Concurrent Bulk- and Surface-Initiated Living Polymerization

(2012) Salomon Turgman-Cohen et al.   MACROMOLECULES

Model, self-assembly structures, and phase diagram of soft Janus particles

(2012) Zhan-Wei Li et al.   Soft Matter

Validation of a hybrid MD-SCF coarse-grained model for DPPC in non-lamellar phases

(2012) Antonio De Nicola et al.   THEORETICAL CHEMISTRY ACCOUNTS

A simulation model for soft triblock Janus particles and their ordered packing

(2012) Zhan-Wei Li et al.   RSC Advances

Influence of Grafting Surface Curvature on Chain Polydispersity and Molecular Weight in Concave Surface-Initiated Polymerization

(2012) Hong Liu et al.   ACS Macro Letters

Rigid body constraints realized in massively-parallel molecular dynamics on graphics processing units

(2011) Trung Dac Nguyen et al.   COMPUTER PHYSICS COMMUNICATIONS

Hybrid Particle-Field Coarse-Grained Models for Biological Phospholipids

(2011) Antonio De Nicola et al.   Journal of Chemical Theory and Computation

IBIsCO: A molecular dynamics simulation package for coarse-grained simulation

(2011) Hossein Ali Karimi-Varzaneh et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Pseudo-random number generation for Brownian Dynamics and Dissipative Particle Dynamics simulations on GPU devices

(2011) Carolyn L. Phillips et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Simultaneous Bulk- and Surface-Initiated Controlled Radical Polymerization from Planar Substrates

(2011) Salomon Turgman-Cohen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Speeding Up Intrinsically Slow Collective Processes in Particle Simulations by Concurrent Coupling to a Continuum Description

(2011) Marcus Müller et al.   PHYSICAL REVIEW LETTERS

A single-site anisotropic soft-core model for the study of phase behavior of soft rodlike particles

(2011) ZhanWei Li et al.   Science China-Chemistry

Layered structure in compatible binary polymer brushes with high graft density: A computer simulation study

(2010) Yao-Hong Xue et al.   JOURNAL OF CHEMICAL PHYSICS

Simulation Model for Hierarchical Self-Assembly of Soft Disklike Particles

(2010) Zhan-Wei Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Hybrid particle-field molecular dynamics simulations for dense polymer systems

(2009) Giuseppe Milano et al.   JOURNAL OF CHEMICAL PHYSICS

Versatile Object-Oriented Toolkit for Coarse-Graining Applications

(2009) Victor Rühle et al.   Journal of Chemical Theory and Computation

Influence of Surface-Initiated Polymerization Rate and Initiator Density on the Properties of Polymer Brushes

(2009) Hong Liu et al.   MACROMOLECULES

Ten-Microsecond Molecular Dynamics Simulation of a Fast-Folding WW Domain

(2008) Peter L. Freddolino et al.   BIOPHYSICAL JOURNAL

General purpose molecular dynamics simulations fully implemented on graphics processing units

(2008) Joshua A. Anderson et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Ordered Packing of Soft Discoidal System

(2008) Zhan-Wei Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Temperature-Transferable Coarse-Grained Potentials for Ethylbenzene, Polystyrene, and Their Mixtures

(2008) Hu-Jun Qian et al.   MACROMOLECULES