Professor David F. Coker

DAVID F. COKER

Professor of Chemistry, Professor of Physics


Metcalf Center for Science and Engineering
590 Commonwealth Avenue Room 530
Boston, MA 02215
Phone: 617.353.2490
Email: coker@bu.edu


1981 B.Sc. Hons.I, Theoretical Chemistry; University of Sydney

1986 Ph.D. Statistical Physics; Australian National University

1985 Postdoctoral Fellow Theoretical and Physical Chemistry; Columbia University


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Thomas Heavey

Thomas John Heavey IV

Metcalf Center for Science and Engineering, Room 530

Email: theavey@bu.edu


2012 B.S. Chemistry; California Institute of Technology

2014 M.S. Chemistry; University of North Carolina Charlotte

August 2014 joined The Coker Group


RESEARCH INTERESTS

Thomas is interested in using enhanced sampling methods such as metadynamics to study organic reactions. Currently, the reaction of 3-hydroxyflavone with methyl cinnamate and catalyzed by TADDOLs is being investigated because of the antitumor properties of one of the products. Ultimately, Thomas will help bridge the loop between computational methods and improving catalyst design. As a current side project, Thomas is investigating the use of machine learning techniques to improve the accuracy and performance of molecular simulations.


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Alex Hino

Alexander Hino

Metcalf Center for Science and Engineering, Room 530

Email: ahino16@bu.edu


2016 B.A. Chemistry, Physics, and Mathematics; Boston University

May 2015 joined The Coker Group


RESEARCH INTERESTS

Alex is interested in the characterization of organic probes. Currently investigating the mechanisms that allow Di-ANEPPS to function as a voltage-sensitive dye. Di-ANEPPS are a type of small organic probe which can be used like green fluorescent protein without causing changes to the surrounding environment due to the probe's size.

Manav Kumar

Manav Kumar

Metcalf Center for Science and Engineering, Room 530

Email: makumar@bu.edu


2015 B.S. Chemistry; New York University

December 2016 joined The Coker Group


RESEARCH INTERESTS

Manav is relatively new to the Coker Group and is still finding his way with a project. He hasn't yet provided research interests for this page, but he seems interested in collaborative interdisciplinary projects with wide-ranging impacts.

Albert Lamonda

Albert Lamonda

Email: alamonda@bu.edu

Metcalf Center for Science and Engineering, Room 530


August 2017 joined The Coker Group


RESEARCH INTERESTS

Albert is relatively new to the Coker Group and is still finding his way with a project. He hasn't yet provided research interests for this page, but he seems interested in collaborative interdisciplinary projects with wide-ranging impacts.

Brendan Mattingly

Brendan Mattingly

Email: bmatt@bu.edu

Metcalf Center for Science and Engineering, Room 530


2009 B.S. Biochemistry (Cum Laude); The Florida State University

January 2013 joined The Coker Group


RESEARCH INTERESTS

Brendan's research is focused on solid state materials. Currently, specific materials are being investigated to determine applicability for use in plasmonics. To achieve this end, density-functional theory (DFT) is employed to obtain single-particle properties such as total energies and bandstructures. Going beyond DFT, the GW approximation is used to determine more accurate single-particle energies while time-dependent DFT or the Bethe-Salpeter formulism is used to determine optical properties. With this, we can determine the properties of pure and defect materials which can direct experiment to synthesize structures for plasmonic uses.

Justin Provazza

Justin Provazza

Metcalf Center for Science and Engineering, Room 530

Email: justinap@bu.edu


2015 B.S. Biotechnology; Plymouth State University

September 2015 joined The Coker Group


RESEARCH INTERESTS

Justin is interested in the development and implementation of accurate semi-classical quantum dynamics algorithms. Of particular interest is the study of excitation energy transfer in open quantum systems. Currently, Justin is working on using semiclassical methods to compute 2D electronic spectra for model photosynthetic light-harvesting systems.

Photo of white and tan italian greyhound

Dorothy J. Dog

Metcalf Center for Science and Engineering, Room 530

Email:djdog@baddogz.org


October 2015 joined The Coker Group


RESEARCH INTERESTS

Dorothy is interested in the development of ultrafast food-stealing techniques. Ultimately, these methods will be used to frustrate graduate students and post-docs alike. Dorothy has also been working on side projects consisting of bullying her sister and going to the bathroom in inconvenient locations.

Photo of gray and white italian greyhound

Phryne A. Dog

Metcalf Center for Science and Engineering, Room 530


October 2015 joined The Coker Group


RESEARCH INTERESTS

Phryne is the meek one.

Former Group Members

MiKyung Lee

Mi Kyung Lee

Metcalf Center for Science and Engineering

Email: mlee03@bu.edu


2008 B.A. Chemistry and Physics; Wesleyan University

September 2011 joined The Coker Group

August 2017 successfully defended dissertation


RESEARCH INTERESTS

MiKyung is interested in developing accurate model Hamiltonians from first-principles to study excitation energy transfer (EET) processes in light-harvesting complexes. In collaboration with the Bravaya Group, advanced electronic structure methods beyond DFT and semi-empirical methods are employed to quantitatively identify the excitonic states measured in steady-state linear and time-dependent non-linear spectroscopy. New computational algorithms have been developed and used to construct spectral densities that accurately capture electron-nuclear non-adiabatic interactions. A fully parameterized Hamiltonian is ultimately used for quantum dynamics with the Partial Linearized Density Matrix (PLDM) path-integral propagation method developed by the Coker Group.

Juan Manual Ortiz Sanches

Dr. Juan Manual Ortiz Sanchez

Email: jmortiz@bu.edu


2005 B.Sc. Chemistry with Honors; Autonomous University of Barcelona (Spain)

2009 Ph.D. Computational and Theoretical Chemistry with Honors; Autonomous University of Barcelona (Spain)

Postdoctoral Associate at The Coker Group from January 2015 to December 2016


RESEARCH INTERESTS

My research interests are focused on the study of molecular mechanisms by which chemical systems of behave in the excited electronic states. As a computational chemist, my work reflects an interplay of rigorous mathematical theory and physics with the complexity of chemical and biological phenomena. My ultimate goal is to advance these efforts to facilitate synergy between experiment and theory in research, and to communicate to young scientists the role of theoretical chemistry in modern science. I also deeply value the vocation of teaching and I have taken every opportunity to teach and mentor students through my career.