Theoretical and computational methods for finding new materials and optimising chemical processes relevant to the industry and renewable energy technology

Dr Tanglaw Roman is currently developing non-equilibrium approaches to calculating macroscopic properties of fluids, which is useful in optimising 3D printing conditions and finding the best polymer melts. He is also actively involved in finding electrochemical energy storage solutions through ab initio electronic structure methods.

​Tanglaw Roman obtained his PhD from the Graduate School of Engineering of Osaka University under a Fellowship from the Japan Society for the Promotion of Science. His work in Osaka included collaborations with several industry partners, including the Toyota Motor Corporation. Tanglaw was part of the academic staff at the Institute of Theoretical Chemistry in Ulm University, Germany before taking up a Research Fellowship at the Australian Institute for Bioengineering and Nanotechnology at the University of Queensland. He has published more than 40 peer-reviewed articles in international journals, most of which are joint ventures with scientists from universities and independent research institutions across Europe, Asia, South America and Australia. He envisions bringing high-performance computing to new heights in the search for sustainable materials and renewable energy solutions. 

Industry Engagement

​Toyota Motor Corporation, Aichi Prefecture, Japan (2007-2010)

Taiseiplas Corporation, Japan (2004-2005)

Institute for Semiconductor Technologies, ULVAC Inc., Susono, Shizuoka 410-1231, Japan (2007-2010)


​Prof. Axel Groß, Institute of Theoretical Chemistry, Ulm University, Germany

Prof. Hideaki Kasai, National Institute of Techology, Akashi College, Japan 

Key Publications

  1. T. Roman and A. Groß, Structure of water layers on hydrogen-covered Pt electrodes, Catalysis Today 202 (2013) 183.  
  2. T. Roman and A. Groß, Periodic density-functional calculations on work function change induced by adsorption of halogens on Cu(111), Phys. Rev. Lett. 110 (2013) 156804.
  3. T. Roman, W.A. Diño, H. Nakanishi, H. Kasai, T. Sugimoto and K. Tange, Hydrogen pairing on graphene, Carbon 45 (2007) 218-220.
  4. T. Roman and A. Groß, Polymorphism of water in two dimensions, The Journal of Physical Chemistry C 120 (2016) 13649-13655. 
  5. T. Roman, F. Gossenberger, K. Forster-Tonigold and A. Groß, Halide adsorption on close-packed metal electrodes, Physical Chemistry Chemical Physics 16 (2014) 13630.