Structure and properties of polymers calculated by Ab initio molecular dynamics

Engineering & Materials Science

• Electronic structure 44%
• Geometry 35%
• Molecular dynamics 100%
• Optical band gaps 59%
• Organic polymers 46%
• Polyaniline 43%
• Polymers 65%
• Semiconducting polymers 58%

Chemical Compounds

• Band Gap 66%
• Electronic State 32%
• Molecular Dynamics 65%
• Polythiophene Polymer 80%

Physics & Astronomy

• electronic structure 22%
• geometry 33%
• molecular dynamics 64%
• optimization 19%
• polymers 51%
• trends 22%