Predicting mechanical strength of materials through theory and simulations of defect microstructures across atomic, mesoscopic and continuum scales. Developing new atomistic simulation methods for long time-scale processes, such as crystal growth and self-assembly. Introducing magnetic field in quantum simulations of electronic structure and transport.
Christopher R. Weinberger and Wei Cai, "Surface Controlled Dislocation Multiplication in Metal Micro-pillars", Proceedings of the National Academy of Sciences, 105, 14304 (2008).
Wei Cai, William Fong, Erich Elsen and Christopher R. Weinberger, "Torsion and Bending Periodic Boundary Conditions for Modelling the Intrinsic Strength of Nanowires", Journal of Mechanics and Physics of Solids, 56, 3242, (2008).
Seunghwa Ryu and Wei Cai, "Comparison of Thermal Properties Predicted by Interatomic Potential Models", Modelling and Simulation in Materials Science and Engineering, 16, 085005 (2008). Paper selected as MSMSE featured article.
Christopher R. Weinberger and Wei Cai, "Computing Image Stress in an Elastic Cylinder", Journal of the Mechanics and Physics of Solids, 55, 2027 (2007).
Wei Cai, et al. "A non-singular continuum theory of dislocations", Journal of the Mechanics and Physics of Solids, 54, 561 (2006).
Wei Cai and Giulia Galli, "Ab initio calculations in a uniform magnetic field using periodic supercells", Physical Review Letters, 92, 186402 (2004).
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