Matt Kundrat

Matthew D. Kundrat, PhD

mkundrat33/at\yahoo/dot\com
 
PhD in Computational Chemistry,
MA in Inorganic Chemistry

 
- 6 years experience in computational chemistry
/ molecular modeling
- 3 years experience in scientific marketing
/ webpage development
- 5 years experience in experimental (air sensitive)
inorganic and analytical chemistry
- 7 years experience in teaching general,
inorganic and physical chemistry
 
Matthew D. Kundrat CV (EU) Download my
résumé (EU format)
Matthew D. Kundrat CV (USA) Download my
résumé (US format)
Matthew D. Kundrat PhD Thesis Download my PhD thesis
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Publications:

App. Surf. Sci. 12. Boubnov, Alexey; Pacher, Andreas; Kundrat, Matthew. D.; Mangold, Stefan; Reznik, Boris; Jacob, Christoph R.; Kureti, Sven; Grunwald, Jan-Dierk.   Towards advanced structural analysis of iron oxide clusters on the surface of γ-Al2O3 using EXAFS.   Applied Surface Science; 2016; 386 pp 234-246.
ACSnano 11. Neff, Julia L.; Milde, Peter; Pérez León, Carmen; Kundrat, Matthew D.; Eng, Lukas M.; Jacob, Christoph R.; Hoffmann-Vogel, Regina.   Epitaxial growth of pentacene on alkali halide surfaces studied by kelvin probe force microscopy.   ACS Nano; 2014; 8(4) pp 3294-3301.
JCTC 10. Kundrat, Matthew D.; Autschbach, Jochen.   Modeling of the chiroptical response of chiral amino acids in solution using explicit solvation and molecular dynamics.   Journal of Chemical Theory and Computation; 2009; 5(4) pp 1051-1060.
JCTC 9. Kundrat, Matthew D.; Autschbach, Jochen.   Ab-initio and density functional theory modeling of the chiroptical response of glycine and alanine in solution using explicit solvation and molecular dynamics.  Journal of Chemical Theory and Computation; 2008; 4(11) pp 1902-1914.
JACS 8. Kundrat, Matthew D.; Autschbach, Jochen.  Computational modeling of the optical rotation of amino acids: A new look at an old rule for pH dependence of optical rotation.  Journal of the American Chemical Society; 2008; 130(13) pp 4004-4414.
JPCA 7. Kundrat, Matthew D.; Autschbach, Jochen.  Time dependent density functional theory modeling of specific rotation and optical rotatory dispersion of the aromatic amino acids in solution.  Journal of Physical Chemistry A; 2006; 110(47) pp 12908-12917.
JCP 6. Krykunov, Mykhaylo; Kundrat, Matthew D.; Autschbach, Jochen.  Calculation of CD spectra from optical rotatory dispersion, and vice versa, as complementary tools for theoretical studies of optical activity using time-dependent density functional theory.  Journal of Chemical Physics; 2006; 125 pp 194110-194122.
JAC 5. Balogh, Michael P.;  Jones, Camille Y.; Herbst, J.F.; Hector, Jr., Louis G.; Kundrat, Matthew.  Crystal structures and phase transformation of deuterated lithium imide, Li,2ND.  Journal of Alloys and Compounds; 2006; 420 pp 326-336.
JPCA 4. Kundrat, Matthew D.; Autschbach, Jochen.  Time dependent density functional theory modeling of chiroptical properties of small amino acids in solution.  Journal of Physical Chemistry A; 2006; 110(11) pp 4115-4123.
JAC 3. Meisner, Gregory P.; Pinkerton, Frederick E.; Meyer, Martin S.; Balogh, Michael P.; Kundrat, Matthew D.  Study of the lithium-nitrogen-hydrogen system.  Journal of Alloys and Compounds; 2005; 404-406 pp 24-26.
SIA 2. Gaarenstroom, Stephen W.; Balogh, Michael P.; Militello, Maria C.; Waldo, Richard A.; Wong, Curtis A.; Kelly, Nelson A.; Gibson, Thomas L.; Kundrat, Matthew D..  Characterization of indium-tin-oxide films with improved corrosion resistance.  Surface and Interface Analysis 2005; 37(4),  pp 385-392.
JPCB 1. Pinkerton, Frederick E.; Meisner, Gregory P.; Meyer, Martin S.; Balogh, Michael P.; Kundrat, Matthew D..  Hydrogen desorption exceeding ten weight percent from the new quaternary hydride Li3BN2H8  Journal of Physical Chemistry B; 2005; 109(1) pp 6-8.

 

Selected Conference Participation:

WATOC2014 8. Kundrat, Matthew D.; Atkins, Andrew J.;  Jacob, Christoph R..  Modeling solvent effects on X-ray Spectroscopy.  Poster presented at the 10th Congress of the World Association of Theoretical and Computational Chemists , Santiago, Chile, October 5-10 2014, and at the 50th Symposium on Theoretical Chemistry, Vienna, Austria, September 14-18 2014
DFT2013 7. Kundrat, Matthew D.; Jacob, Christoph. R.  Towards the description of ground-state charge transfer at organic interfaces with subsystem-DFT.  Poster presented at the 15th International Conference on Density Functional Theory and its Applications , Durham, UK, September 9-13 2013, and at the 49th Symposium on Theoretical Chemistry, Erlangen, Germany, September 22-26 2013.
Michigan 6. Kundrat, Matthew D.; Autschbach, Jochen.  Modeling the effects of an achiral solvent on the chiroptical response properties of chiral amino acids.  Talk presented at 40th Midwest Theoretical Chemistry Conference, Ann Arbor, MI, June 26-28 2008.
ACS 5. Kundrat, Matthew D.; Autschbach, Jochen.  Time-dependent density functional theory calculation of specific rotation using molecular dynamics and explicit solvation.  Poster and talk presented at 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007; PHYS 566.
ACS 4. Kundrat, Matthew D.; Autschbach, Jochen.  Specific rotation of amino acids: A new look at an old rule.  Poster presented at 232nd ACS National Meeting, San Francisco, CA, Sept. 10-14, 2006, PHYS 449.
Ohio State 3. Kundrat, Matthew D.; Autschbach, Jochen.  Time-dependent density functional theory modeling of the chiroptical properties of aromatic amino acids in solution.  Poster presented at 38th Midwest Theoretical Chemistry Conference, Columbus, OH, June 15-17, 2006.
ACS 2. Kundrat, Matthew D.; Autschbach, Jochen.  Comparison of methods of density functional theory modeling of the specific rotation of amino acid solutions.  Poster presented at 230th ACS National Meeting, Washington, DC, Aug. 28-Sept. 1, 2005, COMP 215.
Wayne State 1. Second Annual Wayne State University Graduate Research Symposium: Organizing committee member.  Detroit, MI, August 18, 2000.

 

Patents:

USPTO 2. Meisner, Gregory P.; Pinkerton, Frederick E.; Meyer, Martin S.; Balogh, Michael P.; Kundrat, Matthew D..  Imide/amide hydrogen storage materials and methods.   United States Patent #7344690,  Mar. 18, 2008.
USPTO 1. Meisner, Gregory P.; Pinkerton, Frederick E.; Meyer, Martin S.; Balogh, Michael P.; Kundrat, Matthew D..  Imide/amide hydrogen storage materials and methods.   United States Patent #6967012,  Nov. 22, 2005.

 

Education:

UB - 2008 Ph.D. in Computational Chemistry
            State University of New York at Buffalo
Wayne State - 2004 M.A. in Inorganic Chemistry
           Wayne State University
Clarion - 1997 B.S. in Chemistry with a minor in Computer Science
            Clarion University of Pennsylvania

 

Awards:

AP - 1997 Clarion University Chemistry Department Competitive Award
- 1994 Advanced Placement Scholar With Distinction

 

Recent Experience:

PA DEP 2016..present Environmental Chemist II, PA Department of Environmental Protection – Harrisburg, PA
 - Developed standards for the legal limits of pollutants discharged into waterways, including common ions, metals and synthetic toxins
 - Collaborated with other scientists as well as engineers, lawyers and political appointees to ensure that the standards enacted are scientifically sound, legally defensible and practically applicable
Wilshire Technologies 2016 Scientist, Wilshire Technologies – Princeton, NJ
 - Prepared marketing materials and price quotes for the sale of cGMP grade (current good manufacturing practice), vegetal and animal derived reagents for the synthesis of cosmetics and pharmaceuticals
KIT 2012..2014 Research Scientist, Karlsruher Institut für Technologie – Karlsruhe, Germany
 - Modeled charge transfer complexes using Partition Density Functional Theory and molecular dynamics, using the ADF, Turbomole, ORCA, and GROMACS programs and Python scripts
 - Detailed the electronic characteristics of a molecular electronics system of adsorbed organic molecules on a metallic surface measured by Kelvin probe force microscopy
 - Modeled plausible structures and X-ray emission and absorption spectra of heterogeneous catalysts
SCM 2009..2011 Scientific Marketing Manager, Scientific Computing and Modelling – Amsterdam, The Netherlands
 - Represented the company at dozens of international chemistry and physics conferences, greeting, informing and gaining contact information from potential customers, causing a growth in revenues
 - Presented PowerPoint seminars and hosted software workshops at universities, government research centers and private businesses, informing and educating current and potential customers
 - Designed and distributed brochures, news items and press releases regarding the latest scientific innovations in software for molecular modeling
 - Optimized company website using search engine optimization techniques with the aid of Google Analytics, employing standard HTML and CSS programming techniques, and ran online ad campaigns, increasing webpage hits by approximately 40%
 - Provided customer support by e-mail, answering technical questions and relaying problem descriptions to our programming team
UB 2004..2008 Research / Teaching Assistant, SUNY at Buffalo – Amherst, NY
 - Modeled chiroptical properties of amino acids in solution, including optical rotatory dispersion and circular dichrroism, using time dependent density functional theory
 - Utilized Turbomole, ADF, Gaussian03, DRF-90, GROMACS, gOpenMol and Molden molecular modeling software, running under Linux, Windows and Mac OS
 - Presented my work at five national and regional conferences, and published an equal number of well-cited, peer-reviewed papers as principal author
 - Instructed chemistry and chemical engineering students in quiz and laboratory sessions
 - Mentored undergraduate students, helping them to begin their studies in theoretical chemistry
GM 2001..2003 Synthetic and Analytical Chemist,  General Motors R&D  – Warren, MI
 - Worked in a team of chemists, physicists and engineers to synthesize and evaluate the performance of air-sensitive metal hydrides designed as potential efficient, environmentally friendly hydrogen fuel storage compounds for automobiles
 - Synthesized air-sensitive and moisture sensitive compounds using spray-drying and ball-milling for particle size control, all under an inert argon atmosphere
 - Evaluated hydrogen storage compounds via Thermo Gravimetric Analysis (TGA) and real-time General Area Detector Diffraction System (GADDS) X-ray diffraction (XRD)
 - Discovered a compound that yielded over 10% by weight desorbed hydrogen, leading to a ground-breaking publication which has been cited over 300 times to date
 - Patented two inventions and published several papers and communications  - Analyzed both energy storage and catalytic systems by X-ray crystallography, performing phase identification and particle size analysis on various metals, alloys and metal-coated materials
 - Communicated results to colleagues through our Lab Information Management Systems (LIMS)
PPG 2001 Paint Quality Technician,  PPG – Warren, MI
 - Identified and fixed flaws in the painting process of Dodge trucks, increasing productivity and quality
 - Enhanced consumer satisfaction by eliminating coating defects which caused customer complaints
UMD 2000 Adjunct Professor of Inorganic Chemistry, University of Michigan – Dearborn –  Dearborn, MI
 - Instructed junior and senior level students in advanced inorganic laboratory
 - Independently designed curriculum and graded performance of pupils
 - Utilized pre-existing lab equipment and reagents extensively to conserve resources and stay under budget
 - Managed laboratory insuring students completed complex experiments in a safe and timely manner
Wayne State 1997..2000 Research / Teaching Assistant, Wayne State University – Detroit, MI
 - Designed and synthesized novel precursors for the chemical vapor deposition of the semiconductors gallium antimodide as well as titanium and tantalum nitrides, utilizing standard glove-box and Schlenk-line techniques for handling air-sensitive materials, with the aid of molecular modeling with ab-inito methods using the Gaussian 98 program
 - Analyzed results using infrared spectroscopy (IR), nuclear magnetic resonance (NMR), mass spectrometry (MS), elemental analysis (EA), and X-ray crystallography to characterize products and verify their quality and purity
 - Assisted professors in teaching general and inorganic chemistry to undergraduates
Stewart Labs 1996 Analytical Laboratory Technician, Stewart Laboratories – Strattanville, PA
 - Tested soil samples for dioxin contamination utilizing supercritical fluid extraction methods coupled with gas chromatography / mass spectrometry (GCMS) in accord with the Environmental Protection Agency (EPA) and Pennsylvania Department of Environmental Protection (DEP) protocols
 - Analyzed mine-drainage water and drinking water samples for metals, sulfates, non-dissolved solids, alkalinity and acidity, employing titration and gravimetric analysis techniques, ensuring standards for safety and quality were met
Clarion 1994..1997 Laboratory Assistant, Clarion University of Pennsylvania – Clarion, PA
 - Supervised the setup and cleanup of the reagents and equipment essential for the completion of general and organic chemistry laboratories, assisting professors and students during class period
  - Oversaw two junior lab assistants in these tasks, setting goals and delegating tasks needed to keep 7 laboratories with 150 students running safely and efficiently

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