A coupled polarization-matrix inversion and iteration approach for accelerating the dipole convergence in a polarizable potential function

Physics & Astronomy

• iteration 97%
• inversions 81%
• dipoles 73%
• polarization 54%
• interactions 39%
• preconditioning 19%
• numerical stability 19%
• alanine 18%
• matrices 15%
• molecules 15%
• boxes 13%
• induction 13%
• dipole moments 13%
• costs 10%
• tensors 10%
• molecular dynamics 10%
• water 8%
• configurations 7%
• simulation 5%

Chemical Compounds

• Dipole 100%
• Intermolecular Potential 67%
• Dipole Interaction 57%
• Polarization 37%
• Pentapeptide 30%
• Polarizability 25%
• Dipole Moment 23%
• Cubic Space Group 20%
• Molecular Dynamics 18%
• Molecule 17%
• Block Like Crystal 17%
• Simulation 15%
• Reaction Yield 10%