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.