Tzu-Jen Lin

Education

• 2013    Ph.D., Polymer Engineering, University of Akron, USA                   

• 2008    Mphil., Chemistry, University of Manchester, UK                     

• 2006    BS., Chemical Engineering, National Cheng Kung University, Taiwan           

Professional Experience

• Aug 2014 – Present, Postdoctoral Fellow, Institute of Atomic and Molecular Sciences, Academia Sinica

• Aug 2013 - Jul 2014, Postdoctoral Fellow, Chemical Engineering, National Taiwan University, Taiwan

Research Interests

• • Molecular recognition on mineral surface and metallic nanocrystallites

  • Mechanism of biomineralization

  • Weak interactions in organic crystal

  • Force field development for minerals

  • ab initio methods applied in large systems

Selected Papers

• • Lin, T.-J, Heinz, H., Accurate Force Field Parameters and pH Resolved Surface Models for Hydroxyapatite to Understand Structure, Mechanics, Hydration, and Biological Interfaces. Journal of Physical Chemistry C, 2016, (Accepted)

• Lin, T.-J, Hsing, C.-R, Wei, C.-M, Kuo, J.-L.  ab intio Random Structure Search on Solid Methanol.  Physical Chemistry Chemical Physics,  2016, 18, 2736-2746

• Lin, T.-J.; Lin, S.-T., Theoretical study on the torsional potential of alkyl, donor, and acceptor substituted bithiophene: the hidden role of noncovalent interaction and backbone conjugation . Physical Chemistry Chemical Physics, 2015, 17, 4127 – 4136

• Heinz, H.; Lin T.-J.; Kishore Mishra, R.; Emami, F. S., Thermodynamically consistent force fields for the assembly of inorganic, organic, and biological nanostructures: the INTERFACE force field. Langmuir 2013, 29 (6), 1754-1765.

  • Martin, E.; Baldansuren, A.; Lin, T.-J.; Samoilova, R. I.; Wraight, C. A.; Dikanov, S. A.; O’Malley, P. J., Hydrogen bonding between the QB site ubisemiquinone and Ser-L223 in the bacterial reaction center: a combined spectroscopic and computational perspective. Biochemistry 2012, 51 (45), 9086-9093.

• Martin, E.; Samoilova, R. I.; Narasimhulu, K. V.; Lin, T.-J.; O’Malley, P. J.; Wraight, C. A.; Dikanov, S. A., Hydrogen bonding and spin density distribution in the QB semiquinone of bacterial reaction centers and comparison with the QA site. Journal of the American Chemical Society 2011, 133 (14), 5525-5537.

• Lin, T.-J.; O’Malley, P. J., Binding site influence on the electronic structure and electron paramagnetic resonance properties of the phyllosemiquinone free radical of photosystem I. The Journal of Physical Chemistry B 2011, 115 (29), 9311-9319.

• Lin, T.-J.; O’Malley, P. J., An ONIOM study of the spin density distribution of the QA site plastosemiquinone in the photosystem II reaction center. The Journal of Physical Chemistry B 2011, 115 (14), 4227-4233.

• Lin, T.-J.; O’Malley, P. J., An ONIOM study of the QA site semiquinone in the  Rhodobacter sphaeroides photosynthetic reaction centre. Journal of Molecular Structure: THEOCHEM 2008, 870 (1), 31-35.