Molecular Mechanics

 

[JA202] Wu HA, Liu GR and Wang JS, Atomistic and continuum simulation on extension behaviour of single crystal with nano-holes, Modelling and Simulation in Materials Science and Engineering, 12 (2): 225-233, 2004.

[JA209] Yao ZH, Wang HS, Liu GR and Cheng M, Improved neighbor list algorithm in molecular simulations using cell decomposition and data sorting method, Computer Physics Communications, 161 (1-2): 27-35, 2004.

[JA215] Xu YG, Liu GR, Behdinan K and Fawaz Z, Stepwise-equilibrium and adaptive molecular dynamics simulation for fracture toughness of single crystals, Journal of Intelligent Material Systems and Structures, 15 (12): 933-939, 2004.

[JA223] Yao ZH, Wang JS, Li BW and Liu GR, Thermal conduction of carbon nanotubes using molecular dynamics, Physical Review B, 71 (8): Art. No. 085417, 2005.

[JA230] Li ZR, Liu GR and Cheng Y, Thermodynamic analysis of protein sequence-structure relationships in monomer and dimer forms, Physica A: Statistical Mechanics and its Applications, 354: 381-392, 2005.

[JA231] Liu GR, Cheng, Y, Mi D and Li ZR, A study on self-insertion of peptides into single-walled carbon nanotubes based on molecular dynamics simulation, International Journal of Modern Physics C, 16 (8): 1239-1250, 2005.