Dr Manhui Wang

Joining Date: 01/05/2017

Research Publications

  1. Manhui Wang, Lee Hosking, Shakil Masum and Hywel Thomas, Development of a high performance computing approach for studying the coupled behaviour of porous media. Proceedings of ACME-UK 2016: 24th Conference on Computational Mechanics, 31 Mar- 1 Apr 2016, Cardiff, UK, pp. 318-321.
  2. Manhui Wang, Andrew J. May and Peter J. Knowles, Improved Version of Parallel Programming Interface for Distributed Data with Multiple Helper Servers, Computer Physics Communications, 182 (7), 1502-1506 (2011). doi:10.1016/j.cpc.2011.03.020
  3. Manhui Wang, Andrew J. May and Peter J. Knowles, Parallel programming interface for distributed data, Computer Physics Communications, 180 (12), 2673-2679 (2009). doi:10.1016/j.cpc.2009.05.002
  4. Jianwei Cao, Zhijun Zhang, Chunfang Zhang, Kun Liu, Manhui Wang, and Wensheng Bian. Quasiclassical trajectory study of H+ SiH4 reactions in full-dimensionality reveals atomic-level mechanisms. Proceedings of the National Academy of Sciences of the United States of America, 106 (32): 13180–13185 (2009). doi: 10.1073/pnas.0903934106
  5. Manhui Wang, Xiaomin Sun, and Wensheng Bian. Quasiclassical trajectory study of the SiH4+H→SiH3+H2 reaction on a global ab initio potential energy surface. J. Chem. Phys. 129, 084309 (2008). doi:10.1063/1.2973626
  6. H. J. J. van Dam, M. Wang, A. G. Sunderland, I. J. Bush, P. J. Knowles and M. F. Guest, Is MPI-2 suitable for Quantum Chemistry? Performance of passive target one-sided communications. Technical Report, STFC Daresbury Laboratory, UK, (2008).
  7. Manhui Wang, Xiaomin Sun, Wensheng Bian, and Zhengting Cai. A global 12-dimensional ab initio potential energy surface and dynamical studies for the SiH4+H→SiH3+H2 reaction. J. Chem. Phys. 124, 234311 (2006). doi:10.1063/1.2203610
  8. Manhui Wang and Wensheng Bian. Theoretical study of rate constants and kinetic isotope effects for reactions in the ClH2 system using variational transition state theory. Chem. Phys. Lett. 391, 354-360 (2004). doi:10.1016/j.cplett.2004.05.033
  9. Xiaomin Sun, Manhui Wang, Peng Liu, Wensheng Bian, Dacheng Feng, and Zhengting Cai. The density functional theory study on the 1,3-dipolar cycloaddition of carbon-methyl nitrone with acrlonitrile. J. Mol. Struct. (Theochem) 679, 73-87 (2004). doi:10.1016/j.theochem.2004.04.006
  10. One of developers and authors of Molpro Quantum Chemistry Software. See:

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