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Educational details :
PhD in theoretical chemistry (2010) Indian Institute of Technology Madras (IITM)
MSc in chemistry St Joseph’s College, Trichy (1999)
BSc in chemistry St Xavier’s College, Palayamkottai (1993)
Area of specialisation :
Computational Chemistry (Potential energy surface generation, Characterization of moleculear geometries, Chemical reaction dynamics)
Software used :
MOLPRO, GAMESS, GAUSSIAN, FORTRAN, MATLAB,MATHEMATICA
Scopus Author ID : 55804983100
Work Experience :
One year as Lecturer in Chemistry in 2003-2004
One year as PDRA in Hebrew University, Isreal (2010-2011)
One year as PDRA in IITM India (2011-2012)
Two year as Conacyt PDRA at UAEM Cuernavaca in Mexico (2013-2015)
Four year as FCT PDRA at UC, Coimbra in Portugal (2015-till to date)
Awards and Recognitions :
Awarded e-Cost Trainee Grant for MOLIM School for 2016
Awarded FCT-Portual post doctoral Fellowship for 2015-2018
Awarded CONACYT Mexico post doctoral fellowship 2013-2015
UAEM Short term Visiting Faculty Fellowship
UNAM Short term Visiting Faculty Fellowship
Awarded Research Associateship in trilateral Isreal-German DFG colloborative project
Awarded Council of scientific and industrial research-University grants commission
Senior Research Fellowship in April 2009
Awarded Half-time Teaching and Research Assistantship by IITM during 2004-2009
Awarded CSIR-NET twice
Awarded CSIR International Travel Award
PhD Thesis
Title : Nonadiabatic Collisions of Proton with CO and O2 Molecules : A Quantum Mechanical Study
Date of Join : 15-08-2004
Date of Award : 30-07-2010 (as in record)
Supervisor : Prof. Sanjay Kumar
Awarding Institute : Indian Institute of Technology Madras
Outcome : 6 Articles + 6 Posters
Representative Publications :
F. George and S. Kumar. Diabatic potential energy surface of H+ + CO., J. Chem. Sci., 119, 409-415, 2007.
F. George, T. J. DhilipKumar and S. Kumar. Scattering resonances in low-energy H+ + CO collision., Indian. J. Phys., 81(9), 889-900, 2007.
F. George D. Xavier and Sanjay Kumar. Ab initioadiabatic and quasidiabatic potential energy surfaces of the lowest four electronic states of the H+ + O2 system., J. Chem. Phys., 133, 164304(1)–164304(12), 2010.
F. George D. X. and Sanjay Kumar. Ab initio ground and the first excited adiabatic and quasidiabatic potential energy surfaces of H+ + CO system., Chem. Phys., 373, 211– 218, 2010.
F. George D. Xavier Nonadiabatic dynamics on the two coupled electronic PESs : The H+ + O2 system. J. Phys. Chem. A., 114, 10357–10366, 2010.
F. George D. Xavier and Sanjay Kumar. Quantum dynamics of H+ + CO collisions. Phys. Rev. A., 83,042709(1)–042709(9), 2011.
Steffen Belz, Omar Deeb, Leticia González, Thomas Grohmann, Daniel Kinzel, Monika Leibscher, Jörn Manz, Rana Obaid, Markus Oppel, George Densingh Xavier and Shmuel Zilberg. Nuclear Spin Selective Torsional States: Implications of Molecular Symmetry., Z. Phys. Chem., 227, 1021-1048, 2013.
George D. Xavier and Margarita I. Bernal-Uruchurtu and Rámon Hernández-Lamoneda. Communication : Ab inito study of O4H+ : A tracer molecule in the interstellar medium?, J. Chem. Phys., 141, 081101(1)-081101(5), 2014.
George D. Xavier and Margarita I. Bernal-Uruchurtu and Rámon Hernández-Lamoneda. Erratum: “Communication : Ab inito study of O4H+ : A tracer molecule in the interstellar medium?”, J. Chem. Phys., 141, 109901(1)-109901(1), 2014.
George D. Xavier and Rámon Hernández-Lamoneda Ab initio study of O4H+ novel species : Spectroscopic fingerprints to aid its observation, Phys. Chem. Chem. Phys., 17(24), 16023- 16032, 2015.
F George D Xavier and Marco Martinez-González and A J C Varandas, Accurate ab initio potential for HO2+:CBS extrapolated energies and direct-fit diatomic curves, Chem. Phys. Lett., 691,421-430, 2018.
F George D Xavier and Marco Martínez-González and A J C Varandas, Global Potential Energy Surface for HO2+ using the CHIPR Method, J. Phys. Chem. A, 123(8),1613-1621, 2019. DOI:10.1021/acs.jpca.8b12005, 2019.
M. Martínez-González, F George D Xavier, L. A. Montero-Cabrera, J. M. Garcia de la Vega and A. J. C. Varandas, On the quest for an ab-initio performance/cost alternative to KS DFT methods: The role of augmented basis sets, J. Phys. Chem. A, submitted, 2019.
Conferences :
A. Saieswari, F. George and S. Kumar H++ NO system : The ground and the first excited PESs and the non-adiabatic effects at the Theoretical Chemistry Symposium (TCS 2004) BARC, Mumabi, Dec. 9-12, 2004.
F. George and S.Kumar, Study of Scattering resonances in H++ CO system at the Discussion meeting on Spectroscopy and Dynamics of Molecules and Clusters, The International Centre Goa, March 30 - April 1, 2006.
F. George and S. Kumar The bound and long-lived scattering states (resonances) in H+ + CO system at the Annual IIT Madras Chemistry Symposium & The first Mid-Year Meeting of the Chemical Research Society of India, IITM Chennai-36, July 12-13, 2006.
F. George and S. Kumar Elastic and Charge transfer collision in H+ + CO system at the Theoretical Chemistry Symposium (TCS 2006), Bharathidhasan University Thiruchirapalli, December 11-13, 2006.
F. George and S. Kumar Diabatic Potential Energy Surface of H+ + CO system at the National Symposium on Quantum Chemistry,Soft Computation & Optimization, IACS Kolkatta, April 04-05, 2008.
F. George and S. Kumar Quantum dynamics of proton collisions with CO molecules at the American Conference on Theoretical Chemistry 2008, NorthWestern University Evanston Illinois USA, July 19-23, 2008.
George D. Xavier and Margarita I. Bernal-Uruchurtu and Rámon Hernández Lamoneda, Ab initio study of O4H+: A tracer molecule in interstellar medium?, 8th International Meeting on Photodynamics, Oaxaca, México, October 26-31, 2014.
George D Xavier and A J C Varandas, Accurte CBS Potential energy curve of OH+ and O2+ March 30- April3, 2016, Curia Palace, Hotel Spa&Golf, Curia, Portugal