Data Analyst / Bioinformatics Researcher / Computational Scientist

Adam C. Chamberlin, Ph.D.

Computational Chemistry, Model Development, and Biophysics

Department of Biological Sciences

University of Calgary

Calgary AB Canada T2N 1N4

Phone (Skype) +1-612-***-**** ********@********.**

linkedin.com/in/adamchamberlin

Career Summary

Computational Chemist/Biophysicist with expertise in high-performance

computation, model development, data analysis, material properties, protein

simulation, and drug discovery, experienced in working with and managing

collaborative projects of over 8 people.

Highlights

. Wrote the first software to compute temperature-dependent solute-solvent

properties using a quantum mechanical model for bioremediation and

bioactivity applications, which involved extensive parameterization and

model analysis.

. Created the two largest databases for temperature-dependent solvation in

water and lipid phases in published literature for the Army Research Labs

and National Institute of Health.

. Cited over 150 times for development of the first model to predict van

der Waals radii for the size of main-group atoms from beryllium up to

tellurium.

. Published in the Proceedings of the National Academy of Sciences (PNAS)

as first author predicting the unknown structure of the cellular membrane

hydrogen ion channel, which has subsequently been confirmed by

experiment.

Education and Honors

Ph.D. Physical Chemistry, University of Minnesota (Twin Cities), GPA

3.75/4.00 2003-2008

Thesis: The calculation of bulk solvation phenomena

NIH Roadmap Initiative Fellowship, 2007-2008

Departmental Fellowship, University of Minnesota, 2003-2004

B.S. Chemistry, Trinity University, San Antonio, Texas, GPA 3.82/4.00

1999-2003

McGavok Chemistry Award for outstanding senior; Graduated Magna Cum

Laude, 2003

Byrd Honors and President's Scholarships

1999-2003

Career History

Post-Doctoral Fellowship to Research Associate, University of Calgary

2011-Present

. Revealed the closed-state structure of the voltage-gated proton channel

(VSoP), never before investigated, which causes damage after stroke and

heart attacks. Published results in PNAS.

. Developed alternatives to remediate critical antifungal drugs that have

been removed from market because of heart damage.

Post-Doctoral Fellowship to Researcher II, University of Troms , Norway

2008-2011

. Discovered two one-photon excitations in porphyrin used to quickly

identify two-photon absorbing materials for use in optical cancer

therapy;, created drug lead.

. Proved that Fe(IV) state is accessible in porphyrins with alkoxy ligands,

revealing a new class of catalysts.

Graduate Research and Teaching Assistant, University of Minnesota (Twin

Cities), 2003-2008

. Created models using genetic algorithms, and linear and nonlinear

optimization, and conducted statistical analysis for identifying trends

and to predict properties of compounds.

. Designed the first lipid solvent dielectric model for computing the

bioavailability of psychoactive compounds.

. Constructed the first temperature-dependent dielectric solvation model

for a range of compounds, reducing costs associated with unknown

materials by predicting solubilities.

. Formulated a method, which was cited more than 150 times in solvation and

spectroscopy publications, to extend commonly used Bondii's van der Waals

radii for main-group atoms from beryllium through tellurium.

. Constructed databases through literature mining of free energies as a

function of temperature for 448 aqueous and 189 lipid solutions. These

are the two largest databases on this topic in the literature.

. Wrote the aqueous temperature-dependent implicit solvation code into

three softwares (Gaussian, Gamess, and Hondo) using F77 for the Army

Research Labs and DOE.

. Managed, distributed, and maintained software developed by three research

groups at UMN and acted as an intermediary between developers and users;

managed software requests.

Skills

Chemical and Biophysical Simulation Software: Fluent with the following:

(1) Quantum Chemistry: Gaussian, Gamess, Hondo, NWChem, MolPro, Dirac, and

ADF; (2) Biophysics: Rosetta, NAMD, Charmm, and Maestro; (3)

Bioinformatics: Autodock, Maestro, Gold, Torch, Forge, and Spark.

Programming Languages: Fluent in Bash, C, Perl, Fortran, and MySQL.

Familiar with C++ and Java.

Project Management: (1) Coordinated a grant request for a group of over 30

people for supercomputer resource allocations. (2) Organized over 66 [PUT

THE TOTAL?]collaborative publications. (3) Coordinated research reports for

NIH and Army Research for groups of up to 10 collaborators. (4) Maintained

working relationships with researchers at more than 10 different

facilities.

Publication, Grant Writing, and Documentation: (1) Published over 5 6 [PUT

THE TOTAL?]papers as first author. (2) Prepared reports for funding

agencies. (3) Wrote supercomputer resource allocation requests, which

underwent a review process similar to that of grants. (4) Wrote a

successful NIH scholarship application.

Software Advocacy: (1) Expanded solvation modules for quantum chemistry

software (Gaussian, Gamess, and Hondo). (2) Supervised local releases of

quantum chemistry software packages. (3) Expanded and managed the software

distribution site at the UMN Chemical Theory Center.

(http://comp.chem.umn.edu/mccdir/software.html) (4) First-line software

technical support for the UMN-CTC research software packages.

Selected Publications

Chamberlin, A., Q. Feng, S. Rebolledo, S.Y. Noskov, and H.P. Larsson,.

Hydrophobic plug functions as gate in voltage gated proton channels,

Proceedings of the National Academy of Sciences, (2014), 111(2), E273-E282.

High Impact Journal.

Mantina, M, A.C. Chamberlin, R. Valero,; C.J. Cramer, and D.G. Truhlar..

Consistent van der Waals Radii for the Whole Main Group., Journal of

Physical Chemistry A, (2009), 113(19), 5806-5812. Cited over 150 times.

Chamberlin, A. C., C.J. Cramer, and D.G. Truhlar. Extension of a

Temperature-Dependent Aqueous Solvation Model to Compounds Containing

Nitrogen, Fluorine, Chlorine, Bromine and Sulfur., Journal of Physical

Chemistry B, (2008), 112(10), 3024-3039. First model of its kind.

Invited Presentations

Chamberlin, A.C., C.J. Cramer, and D.G. Truhlar. The Calculation of Free

Energies of Solvation as Functions of Temperature. 232nd American Chemical

Society National Meeting, San Francisco, CA, September 10th-14th, 2006.

Chamberlin, A.C.; C.J. Cramer, D.J. Levitt, D.G. Truhlar,and G. Wilcox.

Development of a Model for Olive Oil for Use in Bioavailability Models.

SINTEF, University of Trondheim, Trondheim, Norway, Feb. 26th, 2009.

Chamberlin, A.C.; C.J. Cramer, and D.G. Truhlar. SM8T: Accounting for the

Effect of Temperature Upon the Variation of Aqueous Partition Coefficients.

2007 Army Energetic Materials MURI Review, Aberdeen, MD, July 19th, 2007.

Memberships and Affiliations

. Member of the American Chemical Society, American Physical Society,

Biophysical Society

Member of ? - Physics Honors, ? - Scholastic Honors, ?X? - Chemistry

Fraternity

.

. Ongoing collaboration with the Centre for Theoretical and Computational

Chemistry in Norway (CTCC)

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