Dr Manhui Wang
Joining Date: 01/05/2017
Research Publications
- 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.
- 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
- 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
- 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
- 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
- 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). http://www.hpcx.ac.uk/research/hpc/technical_reports/HPCxTR0807.pdf
- 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
- 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
- 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
- One of developers and authors of Molpro Quantum Chemistry Software. See: http://www.molpro.net/
Google Scholar Profile:
http://scholar.google.co.uk/citations?user=3dYIIPcAAAAJ&hl=en