Home / People / / Kim Baldridge

Kim Baldridge——Professor

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
2018 1,2,3-versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls Liu, Shi; Roch, Loiec M.; Allemann, Oliver; et al. Journal of Organic Chemistry 83
2018 Chiral Atropisomeric Indenocorannulene Bowls: Critique of the Cahn-Ingold-Prelog Conception of Molecular Chirality Wang, Yujia; Allemann, Oliver; Balaban, T. Silviu; et al. Angewandte Chemie-International Edition 57
2018 From charge-transfer excitations to charge-transport phenomena in organic molecular crystals Zoppi, Laura; Baldridge, Kim K. International Journal of Quantum Chemistry 118
2018 General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory (vol 19, pg 26191, 2017) Roch, Loic M.; Baldridge, Kim K. Physical Chemistry Chemical Physics 20
2018 Melatonin-directed micellization: a case for tryptophan metabolites and their classical bioisosteres as templates for the self-assembly of bipyridinium-based supramolecular amphiphiles in water. Wang, Zhenzhen; Cui, Hui; Sun, Zhimin; et al. Soft matter 14
2018 Pauli Repulsion Versus van der Waals: Interaction of Indenocorannulene with a Cu(111) Surface Zoppi, Laura; Stockl, Quinn; Mairena, Anais; et al. Journal of Physical Chemistry B 122
2018 Performance analysis of open-source distributed file systems for practical large-scale molecular ab initio, density functional theory, and GW plus BSE calculations Roch, Loic M.; Aleksiev, Tyanko; Murri, Riccardo; et al. International Journal of Quantum Chemistry 118
2017 An Efficient Analytic Approach for Calculation of Multi-Dimensional Franck-Condon Factors and Associated Photoelectron Spectra Sattasathuchana, Tosaporn; Murri, Riccardo; Baldridge, Kim K. Journal of Chemical Theory and Computation 13
2017 Decakis(arylthio)corannulenes: Transferable Photochemical and Redox Parameters and Photovoltaic Device Performance Deng, Yanan; Xu, Bokai; Castro, Edison; et al. European Journal of Organic Chemistry
2017 Diindenocorannulenes: Curved Aromatics Blending Bowl-in-Bowl Assembly and Nanocarbon Material Properties Tian, Xiaoqi; Roch, Loic M.; Baldridge, Kim K.; et al. European Journal of Organic Chemistry