Nanoscale Molecular Dynamics
Semantic Scholar uses AI to extract papers important to this topic.
Enhancing sampling and analyzing simulations are central issues in molecular simulation. Recently, we introduced PLUMED, an open… Expand Power dissipation and energy consumption are becoming increasingly important architectural design constraints in different types… Expand We present a new computational tool, METAGUI, which extends the VMD program with a graphical user interface that allows… Expand Here we present a program aimed at free-energy calculations in molecular systems. It consists of a series of routines that can be… Expand Multi-core accelerators offer significant potential to improve the performance of parallel applications. However, tools to help… Expand The fastest supercomputers today such as Blue Gene/L and XT3 are connected by a 3-dimensional torus/mesh interconnect… Expand Computer clusters are a very cost-effective approach for high performance computing, but simulating a complete cluster is still… Expand Multi-core processors are growing as a new industry trend as single core processors rapidly reach the physical limits of possible… Expand Abstract Molecular dynamics programs simulate the behavior of biomolecular systems, leading to understanding of their functions… Expand NAMD is a molecular dynamics program designed for high performance simulations of large biomolecular systems on parallel… Expand