King Mongkut's University of Technology Thonburi (KMUTT)

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Chinapong Kritayakornupong, Dr.rer.nat.

ดร.ชินพงษ์ กฤตยากรนุพงศ์

Associate Professor

รองศาสตราจารย์

Research Field: Physical Chemistry

Telephone: 02-470-8962

Fax: 02-470-8843

E-mail: This email address is being protected from spambots. You need JavaScript enabled to view it.

Office: CH 312

 

Research Interests

  • Determination of structural and dynamical properties of ions and composite systems using classical, combined quantum mechanical/molecular mechanical (QM/MM), and Quantum Mechanical Charge Field (QMCF) molecular dynamics simulations.
  • Theoretical investigation of conducting polymer (CPs) including small molecules for gas sensors and organic solar cells
  • Storage of gas molecules by Metal Organic Frameworks (MOFs) and Covalent Organic Frameworks (COFs) using ab initio quantum calculation.
 

Education

Degree

Field

University (Country)

Graduation Year

 

Dr. rer. nat.

Chemistry

University of Innsbruck (Austria)

2003

 

M.Sc.

Physical Chemistry

Chulalongkorn University (Thailand)

2000

 

B.Sc.

Chemistry

Chulalongkorn University (Thailand)

1998

 

Work Experience

2013 – 2014

Associate Dean for Research, Faculty of Science, KMUTT

 

2010 – Present

Associate Professor in Chemistry at Department of Chemistry, Faculty of Science, KMUTT

 

2007 – 2010

Assistant Professor in Chemistry at Department of Chemistry, Faculty of Science, KMUTT

 

2004 – 2007

Lecturer in Chemistry at Department of Chemistry, Faculty of Science, KMUTT

 

2003 – 2004

Researcher in Computational Chemistry Unit Cell, Chulalongkorn University

 

Scholarships and Research Grants

2012

Exchange Scientists Program granted by University of Innsbruck

 

2011

Exchange Scientists Program granted by University of Innsbruck

 

2010 – 2016

Research Grant from the Higher Education Research Promotion and National Research University Project of Thailand (NRU), KMUTT

 

2009 – 2011

TRF Grant for New Researcher funded by the Thailand Research Fund (TRF)

 

2009

Exchange Scientists Program granted by University of Innsbruck

 

2008

Exchange Scientists Program granted by ASEA-UNINET

 

2007 – 2009

TRF-CHE Research Grant for New Scholar funded the Thailand Research Fund (TRF)

 

2005 – 2007

TRF-CHE Research Grant for New Scholar funded the Thailand Research Fund (TRF)

 

2000 – 2003

The North-South-Dialogue-Scholarship-Program (Oead), Austria Federal Ministry for Foreign Affairs

 

International Publications

  1. Janprapa, N.; Vchirawongkwin, V.; Kritayakornupong, C. (2020) Intramolecular hydrogen-bonding effects on structural and electronic properties of pyrrole-phenylene derivatives: A DFT study. Theoretical Chemistry Accounts, 139(7), 107.
  2. Janprapa, N.; Vchirawongkwin, V.; Kritayakornupong, C. (2018) Substituent effects on furan-phenylene copolymer for photovoltaic improvement: A density functional study. Chemical Physics, 510, 60-69.
  3. Ariyageadsakul, P.; Vchirawongkwin, V.; Kritayakornupong, C. (2017) Role and impact of differently charged polypyrrole on formaldehyde sensing behavior. Synthetic Metals, 230, 27-38.
  4. Ariyageadsakul, P.; Vchirawongkwin, V.; Kritayakornupong, C. (2016) Determination of toxic carbonyl species including acetone, formaldehyde and phosgene by polyaniline emeraldine gas sensor using DFT calculation. Sensors and Actuators B: Chemical, 232, 165-174.
  5. Vchirawongkwin, S.; Kritayakornupong, C.; Tongraar, A.; Vchirawongkwin, V. (2014) Hydration properties determining the reactivity of nitrite in aqueous solution. Dalton Transactions, 43(32), 12164-12174.
  6. Vchirawongkwin, V.; Tongraar, A.; Kritayakornupong, C. (2014) Characterization of structure and dynamics of the solvated indium(III) ion by an extended QM/MM molecular dynamics simulation. Computational and Theoretical Chemistry, 1050, 74-82.
  7. Trinapakul, M.; Kritayakornupong, C.; Tongraar, A.; Vchirawongkwin, V. (2013) Active site of the solvated thiosulfate ion characterized by hydration structures and dynamics. Dalton Transactions, 42(30), 10807-10817.
  8. Ariyageadsakul, P.; Kritayakornupong, C. (2012) A quantum study of dihydrogen binding to the lithium alkoxide doped covalent organic framework-105. e-Journal of Surface Science and Nanotechnology, 10, 203-206.
  9. Vchirawongkwin, V.; Kritayakornupong, C.; Tongraar, A.; Rode, B.M. (2012) Characterization of structure and dynamics of an aqueous scandium(III) ion by an extended ab initio QM/MM molecular dynamics simulation. Dalton Transactions, 41(38), 11889-11897.
  10. Vchirawongkwin, V.; Pornpiganon, C.; Kritayakornupong, C.; Tongraar, A.; Rode, B.M. (2012) The stability of bisulfite and sulfonate ions in aqueous solution characterized by hydration structure and dynamics. Journal of Physical Chemistry B, 116(37), 11498-11507.
  11. Vchirawongkwin, V.; Kritayakornupong, C.; Tongraar, A. (2011) Characterization of the structure and dynamics of an aqueous Hg2+ solution by an ab initio molecular dynamics study. Journal of Molecular Liquids, 163(3), 147-152.
  12. Vchirawongkwin, V.; Kritayakornupong, C.; Tongraar, A.; Rode, B.M. (2011) Symmetry breaking and hydration structure of carbonate and nitrate in aqueous solutions: A study by ab initio quantum mechanical charge field molecular dynamics. Journal of Physical Chemistry B, 115(43), 12527-12536.
  13. Kritayakornupong, C.; Hannongbua, S. (2010) Temperature effects on the structure and dynamics of the Jahn-Teller distorted Cr2+ ion in aqueous solution: A hybrid QM/MM molecular dynamics simulation. Dalton Transactions, 39(5), 1176-1178.
  14. Kritayakornupong, C.; Vchirawongkwin, V.; Rode, B.M. (2010) An ab initio quantum mechanical charge field molecular dynamics simulation of a dilute aqueous HCl solution. Journal of Computational Chemistry, 31(8), 1785-1792.
  15. Kritayakornupong, C.; Vchirawongkwin, V.; Rode, B.M. (2010) Determination of structure and dynamics of the solvated bisulfide (HS-) ion by ab initio QMCF molecular dynamics. Journal of Physical Chemistry B, 114(40), 12883-12887.
  16. Vchirawongkwin, V.; Kritayakornupong, C.; Rode, B.M. (2010) Structural and dynamical properties and vibrational spectra of bisulfate ion in water: A study by ab initio quantum mechanical charge field molecular dynamics. Journal of Physical Chemistry B, 114(35), 11561-11569.
  17. Kritayakornupong, C. (2009) Structural and dynamical properties of the V3+ ion in dilute aqueous solution: An ab initio QM/MM molecular dynamics simulation. Journal of Computational Chemistry, 30(16), 2777-2783.
  18. Vchirawongkwin, V.; Kritayakornupong, C.; Ruangpornvisuti, V.; Rode, B.M. (2009) Inter- and intra-molecular OH stretching modes of bicarbonate in aqueous solution. Journal of Molecular Structure: THEOCHEM, 913(1-3), 236-239.
  19. Kritayakornupong, C. (2008) The Jahn-Teller effect of the Ag2+ ion in aqueous solution: A hybrid ab initio quantum mechanical/molecular mechanical molecular dynamics simulation. Chemical Physics Letters, 455(4-6), 207-212.
  20. Kritayakornupong, C. (2008) The Jahn-Teller effect of the Cr2+ ion in aqueous solution: Ab initio QM/MM molecular dynamics simulations. Journal of Computational Chemistry, 29(1), 115-121.
  21. Kritayakornupong, C.; Vchirawongkwin, V.; Hofer, T.S.; Rode, B.M. (2008) Structural and dynamical properties of hydrogen fluoride in aqueous solution: An ab initio quantum mechanical charge field molecular dynamics simulation. Journal of Physical Chemistry B, 112(38), 12032-12037.
  22. Pianwanit, A.; Kritayakornupong, C.; Vongachariya, A.; Selphusit, N.; Ploymeerusmee, T.; Remsungnen, T.; Nuntasri, D.; Fritzsche, S.; Hannongbua, S. (2008) The optimal binding sites of CH4 and CO2 molecules on the metal-organic framework MOF-5: ONIOM calculations. Chemical Physics, 349(1-3), 77-82.
  23. Pinisakul, A.; Kritayakornupong, C.; Ruangpornvisuti, V. (2008) Molecular modeling of nitrosamines adsorbed on H-ZSM-5 zeolite: An ONIOM study. Journal of Molecular Modeling, 14(11), 1035-1041.
  24. Yongprapat, S.; Therdthianwong, S.; Kritayakornupong, C. (2008) Ab initio calculations on the early growth state of Pt on TiO2(110) rutile and the role of CO molecule. Computational Materials Science, 44(2), 536-541.
  25. Kritayakornupong, C. (2007) Ab initio QM/MM molecular dynamics simulations of Ru3+ in aqueous solution. Chemical Physics Letters, 441(4-6), 226-231.
  26. Kritayakornupong, C.; Hannongbua, S. (2007) Structure and dynamics of high-spin Ru2+ in aqueous solution: Ab initio QM/MM molecular dynamics simulation. Chemical Physics, 332(1), 95-101.
  27. Kritayakornupong, C.; Plankensteiner, K.; Rode, B.M. (2004) Structure and dynamics of the Cr(III) ion in aqueous solution: Ab initio QM/MM molecular dynamics simulation. Journal of Computational Chemistry, 25(13), 1576-1583.
  28. Kritayakornupong, C.; Plankensteiner, K.; Rode, B.M. (2004) The Jahn-Teller effect of the TiIII ion in aqueous solution: Extended ab initio QM/MM molecular dynamics simulations. ChemPhysChem, 5(10), 1499-1506.
  29. Kritayakornupong, C.; Plankensteiner, K.; Rode, B.M. (2003) Dynamics in the hydration shell of Hg2+ ion: classical and ab initio QM/MM molecular dynamics simulations. Chemical Physics Letters, 371(3,4), 438-444.
  30. Kritayakornupong, C.; Plankensteiner, K.; Rode, B.M. (2003) Structural and dynamical properties of Co(III) in aqueous solution: Ab initio quantum mechanical/molecular mechanical molecular dynamics simulation. Journal of Chemical Physics, 119(12), 6068-6072.
  31. Kritayakornupong, C.; Plankensteiner, K.; Rode, B.M. (2003) Structure and dynamics of the Cd2+ ion in aqueous solution: Ab initio QM/MM molecular dynamics simulation. Journal of Physical Chemistry A, 107(48), 10330-10334.
  32. Kritayakornupong, C.; Rode, B.M. (2003) Molecular dynamics simulations of Hg2+ in aqueous solution including N-body effects. Journal of Chemical Physics, 118(11), 5065-5070.
  33. Kritayakornupong, C.; Yaguee, J.I.; Rode, B.M. (2002) Molecular dynamics simulations of the hydrated trivalent transition metal ions Ti3+, Cr3+, and Co3+Journal of Physical Chemistry A, 106(44), 10584-10589.