Ivan Tubert-Brohman

Email: ivan@tubert.org
URL: http://ivan.tubert.org

Education

Job history

Associate Principal Scientist
Schrodinger, LLC
2009-Present

Research and development of computational chemistry software with applications to pharmaceutical research.

Postdoctoral fellow
University of Basel
2007-2008

Worked with Prof. Markus Meuwly on methods for the simulation of transition-metal catalyzed hydrogenation reactions and reactive molecular dynamics applied to proton transfer in ferredoxins.

Postdoctoral fellow
Harvard University
2006-2007

Worked with Prof. Alan Aspuru-Guzik on distributed computing applications for clean energy materials and quantum computing algorithms for protein folding.

Honors, Fellowships, and Awards

Past and current Research Interests

Publications

Presentations

Teaching Experience

Math and Science Tutor
Yale University
2004-2006

Helped the students of Yale's Calhoun College with problems in Chemistry, Physics, and Calculus.

Teaching Fellow
Yale University
2001-2004

Computational Chemistry (1 semester), Organic Chemistry (2 semesters), and Organic Chemistry Lab (2 semesters). Responsibilities included leading a lab and/or discussion section and grading.

Teaching Assistant
National Autonomous University of Mexico
2000-2001

Physical Chemistry (1 semester) and Heterocyclic Organic Chemistry (1 semester). Responsibilities included lecturing, leading a lab and a discussion section and grading.

Mentor, Mexican Chemistry Olympiad
National Autonomous University of Mexico
1996-2001

Participated in the training of the teams from Mexico City and Oaxaca, as well as a mentor of the national delegation to the Iberoamerican Chemistry Olympiad in Venezuela in 2000. Worked in design and grading of exams, logistics, website design and administration.

Computer Skills

Languages: Perl (expert), C (advanced), Python (advanced), Fortran (advanced), JavaScript (intermediate), VBA (basic), 8086 Assembler (basic), Java (basic).

Web-related technologies: HTML, XML, CSS, mod_perl, Apache.

Version Control: Git, CVS, Subversion, Perforce, VSS.

Operating systems: Linux, Irix, Windows.

Scientific software: Glide, Maestro, Gaussian, MOPAC, CHARMM, BOSS, Matlab.

Open Source Software Development Experience (volunteer projects)

PerlMol

2003-Present

Perl Modules for Computational Chemistry and Chemoinformatics. Available in CPAN; with subscribers in over 20 pharmaceutical companies. Languages used: Perl. Lines of Code (LOC, not counting whitespace, comments, or documentation: ca. 6000).

AnnoCPAN

2005-Present

A web application that presents the documentation for every module on CPAN and allows users to add annotations on the margin. Sponsored by a Perl Foundation grant. Languages used: Perl, JavaScript, SQL. LOC: 2000.

dmoz.org

2002-2006

Developed search engines, anti-spam filters, and other tools for internal use. Languages used: Perl, C, JavaScript, SQL. LOC: 2000.

OSET

2000-2001

Organic Synthesis Exploration Tool. An educational program for retrosynthetic analysis. Languages used: C, Java, JavaScript. LOC: 10,000.

Affiliations

Languages

English (fluent), Spanish (native), French (basic), German (basic).

Last modified September 2007.