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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
2015 Extended Corannulenes: Aromatic Bowl/Sheet Hybridization Dutta, Amit K.; Linden, Anthony; Zoppi, Laura; et al. Angewandte Chemie-International Edition 54
2015 Intramolecular C-H insertion vs. Friedel-Crafts coupling induced by silyl cation-promoted C-F activation Allemann, Oliver; Baldridge, Kim K.; Siegel, Jay S. Organic Chemistry Frontiers 2
2015 Mechanism of Photocatalytic Hydrogen Generation by a Polypyridyl-Based Cobalt Catalyst in Aqueous Solution Rodenberg, Alexander; Orazietti, Margherita; Probst, Benjamin; et al. Inorganic Chemistry 54
2015 Molecular compression chambers: exceeding the Euler modulus Baldridge, Kim K.; Siegel, Jay S. Journal of Physical Organic Chemistry 28
2015 Stereospecific Oxidative Demetallation of Highly Functionalized CpCo(1,3-Diene) Complexes: An Experimental and Computational Study Holland, Ryan L.; O’Connor, Joseph M.; Bunker, Kevin D.; et al. Synlett 26
2015 Structure and dynamics in unsymmetrically substituted five-coordinate iridacyclopentadiene complexes Baldridge, Kim K.; Siegel, Jay S.; O’Connor, Joseph M. Journal of Physical Organic Chemistry 28
2015 Thiophene-fused bowl-shaped polycyclic aromatics with a dibenzo[a,g] corannulene core for organic field-effect transistors Lu, Ru-Qiang; Zhou, Yi-Nyu; Yan, Xiao-Yun; et al. Chemical Communications 51
2015 Tuning Electron Transport through Functionalized C20H10 Molecular Junctions Zoppi, Laura; Ferretti, Andrea; Baldridge, Kim K. Journal of Chemical Theory and Computation 11
2014 Close covalent contacts: gauging molecular compression in a molecular compression chamber Berstis, Laura; Siegel, Jay S.; Baldridge, Kim K. Physical Chemistry Chemical Physics 16
2014 Code Interoperability and Standard Data Formats in Quantum Chemistry and Quantum Dynamics: The Q5/D5Cost Data Model Rossi, Elda; Evangelisti, Stefano; Lagana, Antonio; et al. Journal of Computational Chemistry 35