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
2014 Corannulene derivatives as non-fullerene acceptors in solution-processed bulk heterojunction solar cells Lu, Ru-Qiang; Zheng, Yu-Qing; Zhou, Yi-Nyu; et al. Journal of Materials Chemistry a 2
2014 Cu(I) and Ag(I) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids? Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; et al. Dalton Transactions 43
2014 Induced-fit catalysis of corannulene bowl-to-bowl inversion Juricek, Michal; Strutt, Nathan L.; Barnes, Jonathan C.; et al. Nature Chemistry 6
2014 Polyhapto metal complexation to acyclic conjugated tri(pi) hydrocarbons O’Connor, Joseph M.; Hitt, David M.; Cope, Stephen K.; et al. Abstracts of Papers of the American Chemical Society 247
2014 Structure-Property Relationships of Curved Aromatic Materials from First Principles Zoppi, Laura; Martin-Samos, Layla; Baldridge, Kim K. Accounts of Chemical Research 47
2014 Synthesis of Bioconjugated sym-Pentasubstituted Corannulenes: Experimental and Theoretical Investigations of Supramolecular Architectures Mattarella, Martin; Berstis, Laura; Baldridge, Kim K.; et al. Bioconjugate Chemistry 25
2014 Through-space interactions in enshrouded m-terphenylsilanes Romanato, Paola; Duttwyler, Simon; Linden, Anthony; et al. Journal of Physical Organic Chemistry 27
2013 Chemistry at the Alkyne-Carbene Intersection: A Metallacyclobutene-eta(3)-Vinylcarbene Equilibration O’Connor, Joseph M.; Baldridge, Kim K.; Velez, Carmen L.; et al. Journal of the American Chemical Society 135
2013 Chemistry at the Alkyne-Carbene Intersection: A Metallacyclobutene-eta(3)-Vinylcarbene Equilibration. O’Connor, Joseph M; Baldridge, Kim K; Velez, Carmen L; et al. Journal of the American Chemical Society 135
2013 Defined-Sector Explicit Solvent in Continuum Cluster Model for Computational Prediction of pK(a): Consideration of Secondary Functionality and Higher Degree of Solvation Abramson, Rebecca A.; Baldridge, Kim K. Journal of Chemical Theory and Computation 9