Simulations Plus (United States)

COMPASS:  An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

Huai Sun · The Journal of Physical Chemistry B · 1998 · 5.7K citations

Engineering, Computational Chemistry, Chemistry +16

The COMPASS force field: parameterization and validation for phosphazenes

Huai Sun, Pengyu Ren, Joel Fried · Computational and Theoretical Polymer Science · 1998 · 1.5K citations

Biophysical Modeling, Compass Force Field, Biomechanics +4

Computer simulations of poly(ethylene oxide): force field, pvt diagram and cyclization behaviour

David L. Rigby, Huai Sun, B. E. Eichinger · Polymer International · 1997 · 490 citations

Engineering, Mechanical Engineering, Polymer Nanocomposites +23

Molecular Modeling of Energetic Materials:  The Parameterization and Validation of Nitrate Esters in the COMPASS Force Field

Steven W. Bunte, Huai Sun · The Journal of Physical Chemistry B · 2000 · 474 citations

Materials Science, Molecular Kinetics, Molecular Solid +15

Poling: Promoting conformational variation

Andrew Smellie, Steven L. Teig, Peter Towbin · Journal of Computational Chemistry · 1995 · 441 citations

Geometric Modeling, Majority Influence, Pattern Formation +11