 |
Doktorat, post-doc w grupie prof. Barone w Pizie z dziedziny obliczeń chemicznych, poniżej pełna informacja: PhD POSITIONS IN COMPUTATIONAL CHEMISTRY/SPECTROSCOPY, 2 POSTDOCTORAL POSITIONS IN COMPUTATIONAL SPECTROSCOPY |
.
.
PhD POSITIONS IN COMPUTATIONAL CHEMISTRY/SPECTROSCOPY
Four PhD positions on theoretical/computational chemistry will be available in the laboratory of Prof. Vincenzo BARONE (http://idea.sns.it) at the Scuola Normale Superiore in Pisa, Italy, starting from November, 1 2010.
The PhD students will be involved in ongoing projects related to the development, validation and application of classical and quantum chemical approaches, with a particular emphasis on the computational spectroscopy, studies of large and complex chemical systems for industrial and biological purposes and scientific grid computing.
1) Development and implementation
General Approach to Compute Vibrationally Resolved One-Photon Electronic Spectra, J. Bloino, M. Biczysko, F. Santoro, V. Barone, Journal of Chemical Theory and Computation, 6, 1256-1274 (2010) http://pubs.acs.org/doi/abs/10.1021/ct9006772
Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems, V. Barone, J. Bloino, M. Biczysko, F. Santoro, , Journal of Chemical Theory and Computation, 5, 540-554 (2009) http://pubs.acs.org/doi/abs/10.1021/ct8004744
Anharmonic vibrational properties by a fully automated second order perturbative approach, V. Barone, Journal of Chemical Physics, 122, 014108 (2005) http://jcp.aip.org/jcpsa6/v122/i1/p014108_s1
Gaussian grid: a computational chemistry experiment over a web service-oriented grid, N. Sanna, T. Castrignano, P. D'Onorio De Meo, D. Carrabino, A. Grandi, G. Morelli, P. Caruso, V. Barone, Theoretical Chemistry Accounts, 117, 1145-1152 (2007) http://www.springerlink.com/content/e6648138655n0451
2) Validation of computational approaches and state-of-the-art applications
Environmental Effects in Computational Spectroscopy: Accuracy and Interpretation, A. Pedone, M. Biczysko, V. Barone, ChemPhysChem, ASAP, (2010), doi: 10.1002/cphc.200900976
Validation of the DFT/N07D computational model on the magnetic, vibrational and electronic properties of vinyl radical, V. Barone, J. Bloino, M. Biczysko, Physical Chemistry Chemical Physics, 12, 1092-1101 (2010) http://www.rsc.org/publishing/journals/CP/article.asp?doi=b915246f
The PhD programs last three years and their legal and financial start date is November,1 2010. Successful applicants will receive a fellowship of €13,000.00/year net, as well as free meals in the Scuola dining hall.
The following requisites are necessary to apply: the candidate must have completed a 2nd-cycle university degree or equivalent by October, 31 2010, and the candidate must be under 30 years of age as of October, 31 2010. Formal applications for admission must arrive to the Scuola within September,10 2010. For further details see: http://www.sns.it/en/scuola/ammissione/corsodiperfezionamento/scienze/
For additional information regarding possible research projects or informal enquiries, please e-mail to:
Dr. Malgorzata Biczysko
Adres poczty elektronicznej jest chroniony przed robotami spamującymi. W przeglądarce musi być włączona obsługa JavaScript, żeby go zobaczyć.
2 POSTDOCTORAL POSITIONS IN COMPUTATIONAL SPECTROSCOPY
Two post-doctoral positions in theoretical/computational spectroscopy are available in the laboratory of Prof. Vincenzo BARONE (http://idea.sns.it) at the Scuola Normale Superiore in Pisa, Italy, starting from September 2010, both grants have a two-year duration.
The postdoctoral fellows will be involved in ongoing projects related to the development and validation of computational spectroscopy approaches, with a particular emphasis on the direct simulation of vibrational or electronic (absorption, fluorescence, ECD ..) spectrum line-shapes, which have been the subject of recent papers.
1) Development and implementation
General Approach to Compute Vibrationally Resolved One-Photon Electronic Spectra, J. Bloino, M. Biczysko, F. Santoro, V. Barone, Journal of Chemical Theory and Computation, 6, 1256-1274 (2010) http://pubs.acs.org/doi/abs/10.1021/ct9006772
Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems, V. Barone, J. Bloino, M. Biczysko, F. Santoro, , Journal of Chemical Theory and Computation, 5, 540-554 (2009) http://pubs.acs.org/doi/abs/10.1021/ct8004744
Anharmonic vibrational properties by a fully automated second order perturbative approach, V. Barone, Journal of Chemical Physics, 122, 014108 (2005) http://jcp.aip.org/jcpsa6/v122/i1/p014108_s1
2) Validation of computational approaches and state-of-the-art applications
Environmental Effects in Computational Spectroscopy: Accuracy and Interpretation, A. Pedone, M. Biczysko, V. Barone, ChemPhysChem, ASAP, (2010), doi: 10.1002/cphc.200900976
Validation of the DFT/N07D computational model on the magnetic, vibrational and electronic properties of vinyl radical, V. Barone, J. Bloino, M. Biczysko, Physical Chemistry Chemical Physics, 12, 1092-1101 (2010) http://www.rsc.org/publishing/journals/CP/article.asp?doi=b915246f
First principle simulation of vibrationally resolved A2 B1←X2 A1 electronic transition of phenyl radical M. Biczysko, J. Bloino, V. Barone, , Chemical Physics Letters, 471, 143-147 (2009) doi:10.1016/j.cplett.2009.01.082
For both positions a good knowledge in state-of-the-art computational spectroscopy approaches is required. One grant will be mainly focused on development and requires at least fair programming skills (developments will be done in Fortran (77 or 90/95)) and experience in theoretical development. The other one will be geared toward the validation and application of various computational spectroscopy approaches, where a solid experience in quantum chemical computations related to spectroscopy studies and a good understanding of spectroscopy problems are needed.
Applicants should send a complete curriculum vitae, including a list of publications and references for letters of recommendation to:
Dr. Malgorzata Biczysko
Scuola Normale Superiore, Piazza Cavalieri 7, 56126 Pisa, Italy
Dodatkowe inforacje znajdziesz na stronie grupy: http://idea.sns.it
Serdecznie, dziękujemy za informację Pani Małgorzacie, oraz zachęcam do publikowania na łamach www.molnet.eu informacji dotyczących stażów, post-doców i studiów doktoranckich, oraz także propozycji pracy. Wszelkie typu ogłoszenia będą umieszczone nieodpłatnie, a także w przyszłości będziemy umieszczać w newsletter
