A. Cheng

发表

Prediction of aqueous solubility of a diverse set of compounds using quantitative structure-property relationships.

Kenneth M Merz, Ailan Cheng, K. Merz, 2003, Journal of medicinal chemistry.

Simulation of chip-size electrocaloric refrigerator with high cooling-power density

B. A. Craven, Qiming Zhang, Xinyu Li, 2013 .

Orientational ordering in the solid fullerene oxide: C60O

M. Klein, A. Cheng, 1994 .

Intermolecular interactions and the nature of orientational ordering in the solid fullerenes C60 and C70

M. Klein, M. Parrinello, M. Sprik, 1992, Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences.

Molecular dynamics simulations of solid buckminsterfullerenes

Ailan Cheng, Michael L. Klein, M. Klein, 1991 .

Molecular Dynamics Investigation of Alkali‐Metal‐Doped Fullerites.

M. Klein, A. Cheng, 1992 .

Application of the Nosé−Hoover Chain Algorithm to the Study of Protein Dynamics

Kenneth M. Merz, Ailan Cheng, K. Merz, 1996 .

Computation of the physio‐chemical properties and data mining of large molecular collections

Kenneth M. Merz, Steven L. Dixon, Ailan Cheng, 2002, J. Comput. Chem..

A chip scale electrocaloric effect based cooling device

Shi-Chune Yao, Wenyi Zhu, Brent A. Craven, 2013 .

Computer simulation of ammonia on graphite. I. Low temperature structure of monolayer and bilayer films

W. Steele, A. Cheng, 1990 .

C60O: a molecular dynamics study of rotation in the solid phase solid phase

M. Klein, A. Cheng, 1992 .

Modeling the orientational ordering transition in solid fullerene (C60)

Michiel Sprik, Ailan Cheng, Michael L. Klein, 1992 .

In Silico Prediction of Hepatotoxicity

Ailan Cheng, A. Cheng, 2009 .

Computer Simulation Study of the Chemical Potential of Argon Adsorbed on Graphite

W. Steele, A. Cheng, 1990 .

Computer simulation of ammonia on graphite. II. Monolayer melting

W. Steele, A. Cheng, 1990 .