Mathew D. Halls, Ph.D.

Affiliations: 
1997-2001 Chemistry Wayne State University, Detroit, MI, United States 
Area:
Theoretical chemistry
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"Mathew Halls"
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Parents

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H. Bernhard Schlegel grad student 2001 Wayne State
 (Theoretical studies of molecular vibrational spectra, OLED materials and carbon nanotube confined chemistry.)
Krishnan Raghavachari post-doc 2003-2004 Indiana University

Collaborators

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Yves J. Chabal collaborator University of Texas - Dallas (Astronomy Tree)
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Publications

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Tsuchiya Y, Tsuji K, Inada K, et al. (2020) Molecular Design Based on Donor-Weak Donor Scaffold for Blue Thermally-Activated Delayed Fluorescence Designed by Combinatorial DFT Calculations. Frontiers in Chemistry. 8: 403
Matsuzawa NN, Arai H, Sasago M, et al. (2020) Massive Theoretical Screen of Hole Conducting Organic Materials in the Heteroacene Family by Using a Cloud Computing Environment. The Journal of Physical Chemistry. A
Jacobson LD, Bochevarov AD, Watson MA, et al. (2017) An automated transition state search and its application to diverse types of organic reactions. Journal of Chemical Theory and Computation
Cao Y, Hughes T, Giesen D, et al. (2016) Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large molecules. Journal of Computational Chemistry
Liu LH, Michalak DJ, Chopra TP, et al. (2016) Surface etching, chemical modification and characterization of silicon nitride and silicon oxide-selective functionalization of Si3N4 and SiO2. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 094014
Mustard TJL, Kwak HS, Goldberg A, et al. (2016) Quantum mechanical simulation for the analysis, optimization and accelerated development of precursors and processes for Atomic Layer Deposition (ALD) Journal of the Korean Ceramic Society. 53: 317-324
Seidel TE, Goldberg A, Halls MD, et al. (2016) Simulation of nucleation and growth of atomic layer deposition phosphorus for doping of advanced FinFETs Journal of Vacuum Science and Technology a: Vacuum, Surfaces and Films. 34
Mane AU, Elam JW, Goldberg A, et al. (2016) Atomic layer deposition of boron-containing films using B2F4 Journal of Vacuum Science and Technology a: Vacuum, Surfaces and Films. 34
Evans DR, Kwak HS, Giesen DJ, et al. (2016) Estimation of charge carrier mobility in amorphous organic materials using percolation corrected random-walk model Organic Electronics: Physics, Materials, Applications. 29: 50-56
Murdock SE, Hughes TF, Kwak HS, et al. (2015) Discovery of new Anode SEI forming additives using an in silico evolutionary approach Ecs Transactions. 69: 67-74
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