Standout Papers

COMPASS:  An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverv... 1994 2026 2004 2015 4.9k
  1. COMPASS:  An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds (1998)
    Huai Sun The Journal of Physical Chemistry B
  2. The COMPASS force field: parameterization and validation for phosphazenes (1998)
    Huai Sun, Pengyu Ren et al. Computational and Theoretical Polymer Science
  3. An ab Initio CFF93 All-Atom Force Field for Polycarbonates (1994)
    Huai Sun, Stephen J. Mumby et al. Journal of the American Chemical Society
  4. COMPASS II: extended coverage for polymer and drug-like molecule databases (2016)
    Huai Sun, Zhao Jin et al. Journal of Molecular Modeling
  5. Ab initio calculations and force field development for computer simulation of polysilanes (1995)
    Huai Sun Macromolecules
  6. ReaxFF-lg: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials (2011)
    Lianchi Liu, Yi Liu et al. The Journal of Physical Chemistry A
  7. Molecular Modeling of Energetic Materials:  The Parameterization and Validation of Nitrate Esters in the COMPASS Force Field (2000)
    Steven W. Bunte, Huai Sun The Journal of Physical Chemistry B
  8. Force field for computation of conformational energies, structures, and vibrational frequencies of aromatic polyesters (1994)
    Huai Sun Journal of Computational Chemistry

Immediate Impact

15 by Nobel laureates 16 from Science/Nature 63 standout
Sub-graph 1 of 20

Citing Papers

De novo design of allosterically switchable protein assemblies
2024 StandoutNatureNobel
Cellulose: A Review of Water Interactions, Applications in Composites, and Water Treatment
2023 Standout
1 intermediate paper

Works of Huai Sun being referenced

Manipulation of cholesteric liquid crystal phase behavior and molecular assembly by molecular chirality
2019
COMPASS:  An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds
1998 Standout

Author Peers

Author Last Decade Papers Cites
Huai Sun 6421 1272 1321 2448 2334 119 13.2k
Tahir Çağın 8532 903 1642 1845 1199 187 12.4k
Lennart Bergström 5516 835 1261 3966 539 227 16.7k
J. Rouquérol 10233 4278 325 3787 2135 118 21.7k
D. H. Everett 3740 969 869 2354 1275 111 10.6k
D. Briggs 5112 430 1159 2037 1236 141 13.1k
H. W. Salzberg 9898 1816 3118 3067 1843 36 21.9k
Doros N. Theodorou 6660 2379 1561 3712 869 236 12.7k
John L. Margrave 10289 2484 3742 2190 1359 440 17.4k
William A. Steele 8277 2315 3968 6327 1507 261 18.2k
Anthony K. Rappé 7194 4566 2883 1747 660 99 16.8k

All Works

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Rankless by CCL
2026