Sittipong Komin
ผศ.ดร.สิทธิพงษ์ โกมิล
Sittipong Komin
Department : ภาควิชาฟิสิกส์
Room :
Phone : 4320
Mobile : 4320
E-mail : sittipong.k@ubu.ac.th
Education

1992 – 1994: Science studies program in maths, physics, chemistry, biology,
english at Kannakorn Wittayalai school Thailand. DPST: Devel-
opment and Promotion of Science and Technology Project
1994 – 1998: Physics studies at Khonkaen University B.Sc.(honors) in Physics.
Topic: Computer simulation of Solar Cell.
Since 1999: Lecturer; Computational Physics and Material Science in Physics
Department, Faculty of Science, Ubonratchathani Uni- versity,
Thailand.
2001 – 2003: Physics studies at Chiangmai University. M.Sc. in Physics with
Chemical Shifts Calculation of the Carbon Atom by INDO/S -
SOS Method” master thesis.
2004 – 2005: Three-month reasearch stay at the Swiss Federal Institute of Tech-
nology EPF Lausanne, Swizerland in the group of Prof. Ursula
Rothlisberger.
2004 – 2009: PhD student with Prof. Sebastiani at the Max-Planck Institute for
Polymer Research, Mainz. Thesis title: Spectroscopic Properties
from Hybrid QM/MM Molecular Dynamics Simulation.

2009 – present: Lecturer in Physics; Physics Department, Faculty of Science,
Ubonratchathani University, Thailand.

Award and honour

  • MRG-Research Grant for New Scholar ”A Variationally Opti-mizedPseudopotentials Method for the Link Atom Problem in QuantumMechanics and Molecular Mechanics Calculations” (2 years co-funded by TRF and CHE)• NCRT54- Research Grant ”Theoretical study, design, synthesisand biological evaluation of azanaphthoquinone annelated pyr-role derivatives as cytostatic” (2 years co-funded by NCRT, MUAand UBU)• HERP- Higher Education Research Promotion ”Theoretical inves-tigation of ambient air effect on n-type carbon nanotube (SWNT)doped with hydrazine.”

Working experience

  • • Development of new QM/MM theoretical and computational ap-
    proaches; implementation in CPMD: (Car-Parrinello Molecular
    Dynamics, http://www.cpmd.org )
    • Extended experience in collaboration with experimental groups;
    understanding of experimental demands via modelling with CP2K:
    (quantum chemistry and solid state physics software) electronic
    structure code.
    • Management of an independent research group

    • Acquisition, installation, configuration and management of a self-
    built 32-processor parallel Linux-based Beowulf Cluster with Gi-
    gabit high-speed interconnect

Publication

  1. 1. S. Komin and D. Sebastiani: Optimization of capping potentialsfor spectroscopic parameters in hybrid QM/MM calculationsJ.Chem. Theory Comp., 5, 1490-1498 (2009)

    2. S. Komin, C. Gossens, I. Tavernelli, U. Rothlisberger and D. Se-bastiani: NMR solvent shifts of adenine in aqueous solution fromhybrid QM/MM molecular dynamics simulationsJ. Phys. Chem.B111, 5225-5232 (2007)

    3. R. Acosta, L. Agulles-Pedros, S. Komin, D. Sebastiani, H. W. Spiessand P. Blmler: Diffusion in binary gas mixtures studied by NMR hyperpolarized gases and molecular dynamics simu- lationsJ.Phys. Chem. Chem. Phys.8, 4182-4188 (2006)

    4. P. Boontueng, S. Komin: Theoretical study of ethanol interac-tion with pristine and P-doped single-walled carbon nanotubesMaterials Today: Proceedings5, 11043–11050 (2018)

    5. W. Prachamon, S. Limpijumnong and S. Komin: Optical transi-tions of native defects in single-walled carbon nanotubes: Time-dependent density functional theory studyJ. Integrated Ferro-electrics187, 1-13 (2018)

    6. Density-functional study of hydrazine doped single-walled carbon nanotubes as an n-type semiconductorW Prachamon, S Limpijumnong, S Komin
    Physica E: Low-dimensional Systems and Nanostructures 124, 114306 (2020)

Skills
    • Methodological Expertise:–Ab initio(Car-Parrinello and Born-Oppenheimer) molecular dynamics (MD).–Ab initio-metadynamics technique.–Classical molecular dynamics in NVE, NVT and NPT ensembles. First-principles quantum transport calculations using CP2K.
    • Simulation/Visualization Software Experience:–CPMD, cp2K, VMD, Molden, Molekel, Avogadro. . .
    • Code Development:–Development of capping atom for  QM/MM calculations on existing CPMDpackage.
    • Programming Skills:–Proficiency in Fortran and Python.