Teale, Andrew - University of Nottingham

个人简介

Dr. Andy Teale graduated from the University of Durham with an M. Chem (Class I, hons) degree in 2003 and obtained a Ph. D. in 2006, under the supervision of Prof. David J. Tozer, for the study of different representations of the exchange interaction of electrons in Kohn--Sham density-functional theory. In 2006 he took up a postdoctoral research position at the University of Oslo, Norway, with Prof. Trygve Helgaker. In 2009 he was appointed as a temporary lecturer at the University of Oslo and then as researcher on a Nowegian research council funded project designed to study chemical phenomena associated with molecules in very strong magnetic fields (MOLMAG). In 2010 he became researcher on the project "ab initio adibatic connection curves for density-functional analysis and construction (ABACUS)" funded by a European Research Council advanced investigator grant awarded to Prof. Trygve Helgaker. In 2011 he was appointed as a Royal Society University Research Fellow at the University of Nottingham and returned to the UK to take up the position in January. He also maintains close links with the Oslo group via the ABACUS project as an adjunct Associate Professor.

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IRONS, TOM J. P. and TEALE, ANDREW M., 2016. The coupling constant averaged exchange-correlation energy density MOLECULAR PHYSICS. 114(3-4), 484-497 TEALE, ANDREW M., HELGAKER, TRYGVE and SAVIN, ANDREAS, 2016. Alternative Representations of the Correlation Energy in Density-Functional Theory: A Kinetic-Energy Based Adiabatic Connection JOURNAL OF THE CHINESE CHEMICAL SOCIETY. 63(1), 121-128 FURNESS, JAMES W., EKSTROM, ULF, HELGAKER, TRYGVE and TEALE, ANDREW M., 2016. Electron localisation function in current-density-functional theory MOLECULAR PHYSICS. 114(7-8), 1415-1422 CHENG, CHI Y., RYLEY, MATTHEW S., PEACH, MICHAEL J. G., TOZER, DAVID J., HELGAKER, TRYGVE and TEALE, ANDREW M., 2015. Molecular properties in the Tamm-Dancoff approximation: indirect nuclear spin-spin coupling constants MOLECULAR PHYSICS. 113(13-14), 1937-1951 REIMANN, SARAH, EKSTROM, ULF, STOPKOWICZ, STELLA, TEALE, ANDREW M., BORGOO, ALEX and HELGAKER, TRYGVE, 2015. The importance of current contributions to shielding constants in density-functional theory PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 17(28), 18834-18842 REBOLINI, ELISA, TOULOUSE, JULIEN, TEALE, ANDREW M., HELGAKER, TRYGVE and SAVIN, ANDREAS, 2015. Excited states from range-separated density-functional perturbation theory MOLECULAR PHYSICS. 113(13-14), 1740-1749 REBOLINI, ELISA, TOULOUSE, JULIEN, TEALE, ANDREW M., HELGAKER, TRYGVE and SAVIN, ANDREAS, 2015. Calculating excitation energies by extrapolation along adiabatic connections PHYSICAL REVIEW A. 91(3), PEACH, MICHAEL J. G., TEALE, ANDREW M., HELGAKER, TRYGVE and TOZER, DAVID J., 2015. Fractional Electron Loss in Approximate DFT and Hartree-Fock Theory JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 11(11), 5262-5268 FURNESS, JAMES W., VERBEKE, JOACHIM, TELLGREN, ERIK I., STOPKOWICZ, STELLA, EKSTROEM, ULF, HELGAKER, TRYGVE and TEALE, ANDREW M., 2015. Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 11(9), 4169-4181 BORGOO, ALEX, TEALE, ANDY M. and HELGAKER, TRYGVE, 2015. Excitation Energies from Ensemble DFT INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2015 (ICCMSE 2015). 1702, TURPIN, ELEANOR R., MULHOLLAND, SAM, TEALE, ANDREW M., BONEV, BOYAN B. and HIRST, JONATHAN D., 2014. New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations RSC ADVANCES. 4(89), 48621-48631 TELLGREN, E. I., TEALE, A. M., FURNESS, J. W., LANGE, K. K., EKSTROM, U. and HELGAKER, T., 2014. Non-perturbative calculation of molecular magnetic properties within current-density functional theory JOURNAL OF CHEMICAL PHYSICS. 140(3), TEALE, A. M., DE PROFT, F., GEERLINGS, P. and TOZER, D. J., 2014. Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 16(28), 14420-14434 AIDAS, KESTUTIS, ANGELI, CELESTINO, BAK, KELD L., BAKKEN, VEBJORN, BAST, RADOVAN, BOMAN, LINUS, CHRISTIANSEN, OVE, CIMIRAGLIA, RENZO, CORIANI, SONIA, DAHLE, PAL, DALSKOV, ERIK K., EKSTROM, ULF, ENEVOLDSEN, THOMAS, ERIKSEN, JANUS J., ETTENHUBER, PATRICK, FERNANDEZ, BERTA, FERRIGHI, LARA, FLIEGL, HEIKE, FREDIANI, LUCA, HALD, KASPER, HALKIER, ASGER, HATTIG, CHRISTOF, HEIBERG, HANNE, HELGAKER, TRYGVE, HENNUM, ALF CHRISTIAN, HETTEMA, HINNE, HJERTENAES, EIRIK, HOST, STINNE, HOYVIK, IDA-MARIE, IOZZI, MARIA FRANCESCA, JANSIK, BRANISLAV, JENSEN, HANS JORGEN AA., JONSSON, DAN, JORGENSEN, POUL, KAUCZOR, JOANNA, KIRPEKAR, SHEELA, KJRGAARD, THOMAS, KLOPPER, WIM, KNECHT, STEFAN, KOBAYASHI, RIKA, KOCH, HENRIK, KONGSTED, JACOB, KRAPP, ANDREAS, KRISTENSEN, KASPER, LIGABUE, ANDREA, LUTNAES, OLA B., MELO, JUAN I., MIKKELSEN, KURT V., MYHRE, ROLF H., NEISS, CHRISTIAN, NIELSEN, CHRISTIAN B., NORMAN, PATRICK, OLSEN, JEPPE, OLSEN, JOGVAN MAGNUS H., OSTED, ANDERS, PACKER, MARTIN J., PAWLOWSKI, FILIP, PEDERSEN, THOMAS B., PROVASI, PATRICIO F., REINE, SIMEN, RINKEVICIUS, ZILVINAS, RUDEN, TORGEIR A., RUUD, KENNETH, RYBKIN, VLADIMIR V., SALEK, PAWEL, SAMSON, CLAIRE C. M., DE MERAS, ALFREDO SANCHEZ, SAUE, TROND, SAUER, STEPHAN P. A., SCHIMMELPFENNIG, BERND, SNESKOV, KRISTIAN, STEINDAL, ARNFINN H., SYLVESTER-HVID, KRISTIAN O., TAYLOR, PETER R., TEALE, ANDREW M., TELLGREN, ERIK I., TEW, DAVID P., THORVALDSEN, ANDREAS J., THOGERSEN, LEA, VAHTRAS, OLAV, WATSON, MARK A., WILSON, DAVID J. D., ZIOLKOWSKI, MARCIN and AGREN, HANS, 2014. The Dalton quantum chemistry program system WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. 4(3), 269-284 KVAAL, SIMEN, EKSTROM, ULF, TEALE, ANDREW M. and HELGAKER, TRYGVE, 2014. Differentiable but exact formulation of density-functional theory JOURNAL OF CHEMICAL PHYSICS. 140(18), BORGOO, ALEX, TEALE, ANDREW M. and TOZER, DAVID J., 2014. Revisiting the density scaling of the non-interacting kinetic energy PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 16(28), 14578-14583 REBOLINI, ELISA, TOULOUSE, JULIEN, TEALE, ANDREW M., HELGAKER, TRYGVE and SAVIN, ANDREAS, 2014. Excitation energies along a range-separated adiabatic connection JOURNAL OF CHEMICAL PHYSICS. 141(4), GRABOWSKI, IRENEUSZ, TEALE, ANDREW M., FABIANO, EDUARDO, SMIGA, SZYMON, BUKSZTEL, ADAM and DELLA SALA, FABIO, 2014. A density difference based analysis of orbital-dependent exchange- correlation functionals MOLECULAR PHYSICS. 112(5-6), 700-710 GRABOWSKI, IRENEUSZ, FABIANO, EDUARDO, TEALE, ANDREW M., SMIGA, SZYMON, BUKSZTEL, ADAM and DELLA SALA, FABIO, 2014. Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method JOURNAL OF CHEMICAL PHYSICS. 141(2), ALEXANDRINA STOYANOVA, ANDREW M TEALE, JULIEN TOULOUSE, TRYGVE HELGAKER and EMMANUEL FROMAGER, 2013. Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory Journal of Chemical Physics. 139(13), 134113 JOHANNES REKKEDAL, SONIA CORIANI, MARIA-FRACESCA IOZZI, ANDREW M TEALE, TRYGVE HELGAKER and THOMAS-BONDO PEDERSEN, 2013. Communication: Analytic gradients in the random-phase approximation Journal of Chemical Physics. 139(8), 081101