Skip to search formSkip to main content
You are currently offline. Some features of the site may not work correctly.

Nanoscale Molecular Dynamics

Nanoscale Molecular Dynamics (NAMD, formerly Not Another Molecular Dynamics Program) is computer software for molecular dynamics simulation, written… Expand
Wikipedia

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
Highly Cited
2014
Highly Cited
2014
Abstract Enhancing sampling and analyzing simulations are central issues in molecular simulation. Recently, we introduced PLUMED… Expand
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 5
Is this relevant?
2012
2012
Power dissipation and energy consumption are becoming increasingly important architectural design constraints in different types… Expand
  • figure 2
  • figure 1
  • table I
  • table III
  • table II
Is this relevant?
Highly Cited
2011
Highly Cited
2011
A 100-million-atom biomolecular simulation with NAMD is one of the three benchmarks for the NSF-funded sustainable petascale… Expand
  • figure 1
  • figure 2
  • table 1
  • figure 3
  • table 2
Is this relevant?
Review
2011
Review
2011
Large parallel machines with hundreds of thousands of processors are becoming more prevalent. Ensuring good load balance is… Expand
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 5
Is this relevant?
Highly Cited
2009
Highly Cited
2009
Here we present a program aimed at free-energy calculations in molecular systems. It consists of a series of routines that can be… Expand
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 5
Is this relevant?
2008
2008
Computer clusters are a very cost-effective approach for high performance computing, but simulating a complete cluster is still… Expand
  • figure 2
  • figure 1
  • figure 3
  • figure 4
  • figure 5
Is this relevant?
2008
2008
The fastest supercomputers today such as Blue Gene/L and XT3 are connected by a 3-dimensional torus/mesh interconnect… Expand
  • figure 1
  • table 1
  • figure 2
  • table 2
  • table 3
Is this relevant?
Highly Cited
2007
Highly Cited
2007
Multi-core processors are growing as a new industry trend as single core processors rapidly reach the physical limits of possible… Expand
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 7
Is this relevant?
Highly Cited
1999
Highly Cited
1999
Abstract Molecular dynamics programs simulate the behavior of biomolecular systems, leading to understanding of their functions… Expand
  • table I
  • figure 1
  • figure 2
  • figure 4
  • figure 5
Is this relevant?
Highly Cited
1996
Highly Cited
1996
NAMD is a molecular dynamics program designed for high performance simulations of large biomolecular systems on parallel… Expand
  • table 1
  • table 2
  • table 3
  • figure 1
  • figure 2
Is this relevant?