Home / People / / Kim Baldridge

Kim Baldridge——

Nationality:
USA
Phone:
022-87402055
Email:
kimb@tju.edu.cn
Office:
Room A204, Building 24, Tianjin University
School:
School of Pharmaceutical Science and Technology
ResearcherID:
Group weblink
Education Experience
1988 Ph. D. North Dakota State University, USA
1994 Postdoctoral Wesleyan University, Connecticut, USA
Professional Experience
Research Area

The Baldridge group research involves development of theoretical methods for treatment of molecules in complex environments, with focus on the development of quantum mechanical-based methods, dispersion enabled density functional theory, and plane-wave GW based methodologies. Particular emphasis is on development of QM-solvation methods, QM-hybrid methods, and cost-effective single reference dynamic correlation methods. Applications span systems in gas-phase, supramolecular complexes, monolayer-surface interfaces, bulk condensed media, and structured crystalline environments.Through experimental collaborations, these tools enable better understanding of technologically and biologically important chemical structures and reaction processes. The group is part of the international team of developers of the electronic structure theory software, GAMESS.

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Honors and Awards
Tianjin Haihe Award, 2015
Minot State University Hall of Fame Induction, 2013
Fellow of the American Association of the Advancement of Science, 2001
Fellow of the American Physical Society, 2000
Agnes Fay Morgan Research Award, March, 2000
Fulbright Award, 1997
NSF Visiting Professorship for Women Award, 1995
NSF Research Opportunities for Women Award, 1993
NIH Postdoctoral Fellow Award, 1989.
Patents
Highlighted Publications
Sattasathuchana, T.; Baldridge, K. K. Multidimensional Franck-Condon Factor Determination for Accurate Prediction of Photoelectron Spectra, J. Chem. Theor. Comput., 2017, 13, 2147.
Roch, L. M.; Baldridge, K. K. Dispersion-corrected spin-component-scaled double-hybrid density functional theory: implementation and performance on weakly interacting systems, J. Chem. Theor. Comput., 2017, 13, 2650.
Zoppi, L.; Baldridge, K.K. From Charge-Transfer Excitations to Charge Transport mediated by Super Atomic Molecular Orbitals, Int. J. Quant. Chem. (Special Edition, Invited), 2017, DOI: 10.1002/qua.25413.
Deng, Y.; Xu, B.; Baldridge, K. K.; Siegel, J.S. Decakis(arylthio)corannulenes: Transferable Photochemical & Redox Parameters and Photovoltaic Device Performance, Eur. J. Org. Chem., 2017, DOI: 10.1002/ejoc.201700861
Roch, L. M.; Baldridge, K. K. General Optimization Procedure Towards the Design of a New Family of Minimal Parameter Spin-Component-Scaled Double-Hybrid Density Functional Theory, Phys. Chem. Chem. Phys., 2017, 19, 26191 - 26200.
ResearcherID Publications
Year Title Author(s) Source Volume
2008 Multiethynyl corannulenes: synthesis, structure, and properties Wu, Y. T.; Bandera, D.; Maag, R.; et al. Journal of the American Chemical Society 130
2008 On ERI sorting for SIMD execution of large-scale Hartree-Fock SCF Ramdas, T.; Egan, G. K.; Abramson, D.; et al. Computer Physics Communications 178
2008 Quantum chemical prediction of the C-13 NMR shifts in alkyl and chlorocorannulenes: correction of chlorine effects Baldridge, K. K.; Siegel, J. S. Theoretical Chemistry Accounts 120
2008 Quantum tunneling in biological reactions: The interplay between theory and experiments Onuchic, J. N.; Kobayashi, C.; Baldridge, K. K. Journal of the Brazilian Chemical Society 19
2008 Reactions of a metallacyclobutene complex with alkenes Holland, R. L.; Bunker, K. D.; Chen, C. H.; et al. Journal of the American Chemical Society 130
2008 Run-time thread sorting to expose data-level parallelism Ramdas, T.; Egan, G. K.; Abramson, D.; et al. 2008 International Conference on Application-Specific Systems, Architectures and Processors
2008 Steric isotope effects gauged by the bowl-inversion barrier in selectively deuterated pentaarylcorannulenes Hayama, T.; Baldridge, K. K.; Wu, Y. T.; et al. Journal of the American Chemical Society 130
2008 Synthesis of 2,6-diarylphenyldimethylsilyl cations: Polar-pi distribution of cation character Duttwyler, S.; Do, Q. Q.; Linden, A.; et al. Angewandte Chemie-International Edition 47
2008 Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations Cozzi, F.; Annunziata, R.; Benaglia, M.; et al. Physical Chemistry Chemical Physics 10
2008 Towards a special-purpose computer for Hartree-Fock computations Ramdas, T.; Egan, G.; Abramson, D.; et al. Theoretical Chemistry Accounts 120