Hainam Do 化学工程助理教授
化学与环境工程系 / 理工学院



联系方式 办公室
理工楼315

校园
University of Nottingham Ningbo China

地址
199 Taikang East Road, Ningbo, 315100, China

电话
+86 (0) 574 8818 0000 (ext 8753)

邮箱
Hainam.Do@nottingham.edu.cn



学历
PhD in Computational Chemistry (The University of Nottingham, UK)
BEng (Hons) in Chemical Engineering (The University of Nottingham, UK)
个人简介
Dr. Hainam Do graduated with a first-class degree in Chemical Engineering from the University of Nottingham UK in 2007. He received his PhD in Computational Chemistry from the same university in 2011, under the supervision of Professor Jonathan Hirst and Dr. Richard Wheatley. After obtaining his PhD, he was awarded a one-year prestigious independent research fellowship from the EPSRC (the EPSRC Doctoral Prize) hosted by the University of Nottingham. Following the Doctoral Prize fellowship, he spent the next three years as a Postdoctoral Research Fellow in the research group of Dr. Nick Besley at the University of Nottingham. In 2014, he joined the research group of Prof. Alessandro Troisi at the University of Warwick and in 2015 he returned to Nottingham to work with Dr. Richard Wheatley. In 2017, he was appointed as an Assistant Professor in Chemical Engineering at the University of Nottingham Ningbo China.


教学
Interfacial Chemistry
Particle Mechanics


研究方向
My research employs statistical thermodynamics and computational chemistry tools to probe molecular motion and the microscopic structure of matter, which gives insight into their macroscopic properties. Emphasis is on the developments of efficient molecular simulation algorithms and accurate force fields for describing the interactions of atoms and molecules of systems of interests. Current applications include
Calculations of thermophysical properties of carbon dioxide mixtures (especially those containing water and other flue gases). These properties are vital for the design of more efficient and safer pipelines, compressors and storage locations.
Gas storage and phase behaviour in porous materials
Computer simulations of ionic liquids for charge storage devices operated under extreme conditions.


发表文章
Selected PublicationsDo, H.; Wheatley, R. J. Reverse Energy Partitioning - An Efficient Algorithm for Computing the Density of states, Partition Functions and Free Energy of Solids. J. Chem. Phys. 2016, 145, 084116.
Do, H.; Feng, C.; Schultz, A. J.; Kofke, D. A.; Wheatley, R. J. Calculation of High-Order Virial Coefficients for the Square-Well Potential. Phys. Rev. E 2016, 94, 013301.
Do, H.; Troisi, A. Developing Accurate Molecular Mechanics Force Fields for Conjugated Molecular Systems. Phys. Chem. Chem. Phys. 2015, 17, 25123- 25132.
Do, H.; Besley, N. A. Calculation of the Vibrational Frequencies of Carbon Clusters, Fullerenes and Nanotubes with Empirical Potentials. Phys. Chem. Chem. Phys. 2015, 17, 3898-3908.
Do, H.; Besley, N. A. Proton Transfer or Hemibonding? The Structure and Stability of Radical Cation Clusters. Phys. Chem. Chem. Phys. 2013, 15, 16214-16219.
Do, H.; Deeth, R. J.; Besley, N. A. Computational Study of the Structure and Electronic Circular Dichroism Spectroscopy of Blue Copper Proteins. J. Phys. Chem. B 2013, 117, 8105-8112.
Do, H.; Besley, N. A. The Structure of Ionized Water Clusters. J. Phys. Chem. A 2013, 117, 5385-5391.
Do, H.; Wheatley, R. J. Density of States Partitioning Method for Calculating the Free Energy of Solids. J. Chem. Theory Comput. 2013, 9, 165-171.
Do, H.; Besley, N. A. Structural Optimisation of Molecular Clusters with Density Functional Theory Combined with Basin Hopping. J. Chem. Phys. 2012, 137, 134106.
Do, H.; Besley, N. A. Theoretical Study of the Electronic Spectra of Small Molecules that Incorporate Analogues of the Copper-Cysteine Bond. J. Phys. Chem. A 2012, 116, 8507-8514.
Do, H.; Hirst, J. D.; Wheatley, R. J. Calculation of Partition Functions and Free Energies of a Binary Mixture Using the Energy Partitioning Method: Application to CO2 + CH4. J. Phys. Chem. B 2012, 116, 4535-4542.
Do, H.; Hirst, J. D.; Wheatley, R. J. Rapid Calculation of the Partition Functions and Free Energies of Fluids. J. Chem. Phys. 2011, 135, 174105.
Do, H.; Wheatley, R. J.; Hirst, J. D. Molecular Simulation of Binary Mixture 1- 1-1-2-Tetrafluoroethane and Carbon Dioxide. Phys. Chem. Chem. Phys. 2011, 13, 15708-15713.
Do, H.; Wheatley, R. J.; Hirst, J. D. Microscopic Structure of Liquid 1-1-1-2- Tetrafluoroethane from Monte Carlo Simulation. Phys. Chem. Chem. Phys. 2010, 12, 13266-13272.
Do, H.; Wheatley, R. J.; Hirst, J. D. Gibbs Ensemble Monte Carlo Simulations of Binary Mixtures of Methane, Difluoromethane and Carbon Dioxide. J. Phys. Chem. B 2010, 114, 3879-3886.


科研项目 / 研究基金
Research GrantsThe Engineering and Physical Sciences Research Council (EPSRC) Doctoral Prize, PI
The Partnership for Advanced Computing in Europe (PRACE) Preparatory Access Grant, PI
UK National Supercomputing Service (ARCHER) Instant Access Grant, CoI