loading...
António J.C. Varandas received a diploma in Chemical Engineering from the University of Porto in 1971, and a Ph.D. in Theoretical Chemistry from the University of Sussex in 1976. After graduation in Porto, he joined the staff at the Department of Chemistry of the University of Coimbra as Assistant Professor, where he occupies since 1988 a position of Full Professor. His research interests are on Theoretical Chemistry, covering topics from potential energy surfaces to non-adiabatic effects in rovibrational spectroscopy and reaction dynamics, some having implications in combustion processes and ozone chemistry at the middle atmosphere. He has published over 300 papers, and co-authored a monograph on Molecular Potential Energy Functions. Since 2006 he is Corresponding Member of the Academia de Ciências de Lisboa, Portugal.
Departamento de Química
Universidade de Coimbra
3004-535 Coimbra, Portugal
Tel.: +351-239-854441 (office), +351-239-852080, Fax: +351-239-827703
Email: varandas at uc.pt
“Artur Malheiros” Prize for Physics and Chemistry of Lisbon Academy of Sciences (1985).
“Ferreira da Silva” Prize of Portuguese Chemical Society (1991).
Prize Stimulus to Excellence of Portuguese Ministry of Science, Innovation and High Studies (2004).
"Rajendralal Mitra Endowment Lecture", Indian Association for the Cultivation of Science'' (January 27, 2009, Kolkata, India).
"Visiting Professor for Senior International Scientists" of the Chinese Academy of Sciences (2009)
"First Sadhan Basu Memorial Lecture", Indian Association for the Cultivation of Science'' (December 20, 2010, Kolkata, India).
potential energy surfaces, electronic structure calculations, intermolecular forces, molecular dynamics, chemical dynamics.
Major continuing funding has been until 1992 by Instituto Nacional de Investigação Científica, and subsequently by Junta Naciona de Investigação Científica, and Fundação para a Ciência e a Tecnologia (Portugal). Many projects have been attributed ever since via this main route funding. They include since 1998:
Other research funding has sporadically come from NATO, and Fundaçãoo Gulbenkian (Portugal). Collaborative research has also been funded via GRICES/Brasil-2004 ("Nonadiabatic theoretical chemical-physics: theory and application to simple systems and its isotopomers"), and GRICES/India- 2007 ("Non-adiabatic interactions in molecular systems").
In 1994, the European Community funded a research project entitled ``Multichannel Reactions and Combustion Modeling of Combustion Processes'' presented to the Networks Activity of the Human Capital and Mobility Programme (Contract ERBCHRXCT940436). In 2002, the European Community approved a proposal (HPRN-CT-2002-00170) of a Research Training Network entitled ``Predicting catalysis: Understanding ammonia production from first principles''.
In 2008, the European Space Agency financed the project ”Fundamental Issues in the Aerothermodynamics of Planetary Atmosphere Re-entry”.
In 2011, joined Professor Donald G. Truhlar from the University of Minnesota on the Multidisciplinary Research Initiative (MURI) for Fundamental Processes in High-Temperature Hypersonic Flows funded by the U.S. Air Force.
| Molecular Potential Energy Functions |
| J.N. Murrell, S. Carter, S.C. Farantos, P. Huxley, and A.J.C. Varandas |
| Wiley (1984). |
| Symmetry properties of rovibronic states of an X-3 molecule in an upright conical potential |
| Alijah A.; Varandas A. J. C.; Phys, Rev. Lett. 93, 243003 (2004). |
| DOI: 10.1103/PhysRevLett.93.243003x |
| Trajectory binning scheme and non-active treatment of zero-point-energy leakage in quasi-classical dynamics |
| Varandas A. J. C.; Chem. Phys. Lett. 439, 386 (2007). |
| DOI: 10.1016/j.cplett.2007.03.090 |
| Extrapolating to the one-electron basis-set limit in electronic structure calculations |
| Varandas A. J. C.; J. Chem. Phys. 126, 244105 (2007). |
| DOI: 10.1063/1.2741259 |
| Accurate global ab initio potentials at low-cost by correlation scaling and extrapolation to the one-electron basis set limit |
| Varandas A. J. C; Chem. Phys. Lett. 443, 398 (2007). |
| DOI: 10.1016/j.cplett.2007.06.061 |
| Nonadiabatic effects in D(+) + H(2) and H(+) + D(2) |
| Chu T.-S.; Varandas A. J. C.; Han K.-L.; Chem. Phys. Lett., 471, 222 (2009). |
| DOI: 10.1016/j.cplett.2009.02.049 |
| A simple, yet reliable, direct diabatization scheme. The (1)Sigma(+)(g) states of C(2) |
| Varandas A. J. C.; Chem. Phys. Lett. 471, 315 (2009). |
| DOI: 10.1016/j.cplett.2009.02.028 |
| Accurate ab initio potential energy curves for the classic Li-F ionic-covalent interaction by extrapolation to the complete basis set limit and modeling of the radial nonadiabatic coupling |
| Varandas A. J. C; J. Chem. Phys. 113, 124128 (2009). |
| DOI: 10.1063/1.3237028 |
| Extrapolation to the Complete Basis Set Limit without Counterpoise. The Pair Potential of Helium Revisited |
| Varandas A. J. C.; J. Phys. Chem. A 114, 8505 (2010). |
| DOI: 10.1021/jp908835v |
| Geometrical phase effect in Jahn-Teller systems: Twofold electronic degeneracies and beyond |
| Varandas A. J. C.; Chem. Phys. Lett. 487 139 (2010). |
| DOI: 10.1016/j.cplett.2010.01.032 |
| Spin-component-scaling second-order Moller-Plesset theory and its variants for economical correlation energies: Unified theoretical interpretation and use for quartet N(3) |
| Varandas A. J. C.; J. Chem. Phys. 133, 064104 (2010). |
| DOI: 10.1063/1.3465551 |
| Is HO(3) minimum cis or trans? An analytic full-dimensional ab initio isomerization path |
| Varandas A. J. C.; Phys. Chem. Chem. Phys. 13, 9796 (2011). |
| DOI: 10.1039/c1cp20221a |