High-performance scalable molecular dynamics simulations of a polarizable force field based on classical drude oscillators in NAMD

Physics & Astronomy

• field theory (physics) 90%
• oscillators 66%
• molecular dynamics 64%
• performance 39%
• simulation 33%
• thermostats 29%
• nuclei 28%
• ion currents 22%
• self consistent fields 22%
• salts 19%
• charged particles 18%
• platforms 18%
• propagation 13%
• polarization 11%

Engineering & Materials Science

• Ionic conductivity 67%
• Charged particles 63%
• Thermostats 60%
• Computer simulation 48%
• Sodium chloride 46%
• Salts 41%
• Polarization 40%
• Experiments 15%

Chemical Compounds

• Lagrangian 71%
• Molecular Dynamics 65%
• Force 60%
• Simulation 56%
• Ionic Conductivity 41%