Office Location: AC-3F01J
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Degree Institution Field Dates PhD Penn State University Chemistry 2007 BS University of Houston Applied Math & Chemistry 1998
Areas of Expertise
- Theoretical and Computational Chemistry
Quantum Mechanical/Molecular Mechanical Methods
Classical and ab initio Molecular Dynamics
Articles in Field Of Expertise
Small, Y. A.. "Bridging Thermodynamic and Kinetic Processes in Electrochemically Relevant Calculated Pourbaix Diagrams." Journal of Natural Sciences. 3 (2) (2015): 33-62.
Small, Y. A.; DuBois, D.L.; Fujita, E.; Muckerman, J.T.. "Proton Management as a Design Principle for Hydrogenase-inspired Catalysts." Energy and Environmental Science. 4 (2011): 3008-3020.
Shen, X.; Small, Y. A.; Wang, J.; Allen, P. B.; Fernandez-Serra, M. V.; Hybertsen, M. S.; Muckerman, J. T.. "Photocatalytic Water Oxidation Process at the GaN (10-10) – Water Interface." Journal of Physical Chemistry C. 114 (2010): 13695–13704.
Small, Y. A.; Guallar, V.; Soudackov, A. V.; Hammes-Schiffer, S.. "Hydrogen Bonding Pathways in Human Dihydroorotate Dehydrogenase." Journal of Physical Chemistry B. 110 (2006): 19704-19710.
Presented Papers, Lectures, and Exhibitions and Performances
" Photocatalytic Water Oxidation at the GaN 101bar0 Water Interface " 09/01/2010: Panel of DOE Reviewers and BNL's Center for Functional Nanomaterials staff and guest users.
" Theoretical Cluster Model to Characterize Water Oxidation at the Surface of GaN " 10/10/2010: SUNY Farmingdale State College - Nanotechnology Institute.
" Designing Fluorescent Silver Clusters using DNA as a Scaffold " 08/12/2011: Brookhaven National Laboratory.
" Theoretical Cluster Model to Characterize Water Oxidation at the Surface of GaN " 01/13/2012: CUNY Graduate Center.
" Theoretical Electrochemical Description of Water Splitting Catalysis using Nanoscale Semiconductor Materials and Molecular Co-catalysts " 03/05/2012: CUNY Queens College.
" A Chemist's Journey to Exploring Materials and Enzymes " 03/14/2012: CUNY Medgar Evers College.
" Computation and Synthesis of Silver Nanoclusters Using DNA as a Scaffold " 7/18/2012: Brookhaven National Laboratory.
" Water Splitting Chemistry using Photocatalytic Semiconductors and Molecular Co-Catalysts " 3/6/2014: Long Island Section of the American Chemical Society.
" Computational Materials Design - Semiconductors, Molecular Co-Catalysts and Tunable Fluorophores " 2/18/2015: Hofstra University.
" Water splitting chemistry using photocatalytic semiconductors and molecular co-catalysts " 2/25/2015: CUNY Lehman College.
" Designing Tunable Fluorophores Through a Partnership between Theory and Experiment " 4/28/2016: Stony Brook University.
Professional Honors, Prizes, Fellowships
Sloan Foundation Pre-doctoral Award: 2003-2006.
Bunton Waller Graduate Fellowship: 2001-2003.
DOE/NSF/LSAMP Collaborative, Faculty and Student Teams (FaST) Program at BNL. 6/6/2011 - 8/12/2011: $22000.
DOE, CFN User Facility. 1/2012 - 1/2014: $8500.
DOE, Visiting Faculty Program. 6/4/2012 - 8/10/2012: $12000.
PSC-CUNY-45, Designing a new class of materials. 7/1/2014 - 12/30/2015: $3500.
DOE, CFN User Facility. 2/2/2014-1/2/2017: $8500.
PSC-CUNY-46, Tuning superbright fluorescent materials for biological probes. 7/1/2015 - 6/30/2016: $3500.
PSC-CUNY-47, Characterization of Fluorescent Silver Nanoclusters Used as Biosensors. 7/1/2016 - 6/30/2017: $3500.
Offices Held In Professional Societies
Co-Chair Undergraduate Research Symposium (URS) New York Section of the American Chemical Society: Fall 2011 - Spr 2015.
Member Undergraduate Research Symposium Committee (URS) New York Section of the American Chemical Society: Fall 2015 - Spr 2016.
Session Chair - MARM 2016 - New York Section of the American Chemical Society: Fall 2015 - Summ 2016.
Other Professional Activities and Public Service
American Chemical Society - Member: 2002 - present.
Journal of Physical Chemistry B - Referee: 2007.
Session Chair - Mid-Atlantic Regional Meeting (MARM): 2016.