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Brian Novak

Brian Novak

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My Work

Take a look at my latest work.

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set-berendsen-pdamp

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My Certifications

These are the industry credentials that I’ve earned.

Data Engineer Associate

Data Engineer Associate

DataCamp Course Completion

Take a look at all the courses I’ve completed on DataCamp.

Courses

Introduction to Python
Introduction to SQL
Introduction to R
Intermediate SQL

My Work Experience

Where I've interned and worked during my career.

Louisiana State University | Nov 2007 - Oct 2021

Research Associate

I applied molecular simulation to various systems including biomolecular systems (proteins, DNA, lipids), interaction of biomolecules with non-biological materials, surfactants, rapid solidification of metals and alloys, and vapor deposition. I worked with people from various backgrounds including engineering, computer science, physics, and chemistry, and collaborated with experimentalists on multiple projects. I also served as a leader and mentor for multiple undergraduate and graduate students as they worked on their research projects. I used Python, Snakemake, Mathematica, MATLAB, machine learning, VMD, GROMACS, LAMMPS, and NAMD for data analysis, visualization, and simulation.
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University of Notre Dame | Aug 2002 - Sep 2007

Graduate Research Assistant

I developed a pressure control algorithm for studying bubble nucleation on a surface using molecular dynamics (MD). I showed that 4.5 nm indentations cause a large increase in nucleation rate, but 1.5 nm indentations have little effect. I demonstrated using MD with a constant heat flux algorithm that local heating within 4.5 nm indentations leads to a higher frequency of void formation there. I applied a thermodynamic model using Mathematica that explained the location of critical bubble nuclei near flat surfaces and extended this model to geometric surface defects. I wrote Fortran code to extend the group MD code and used Fortran, Mathematica, MATLAB, Sigma Plot, and VMD for data analysis, visualization, and simulation setup.

Kansas State University | Jan 1999 - Jan 2001

Undergraduate Research Assistant

I showed the effects of solute-gel interactions by measuring electrochemiluminescence intensities of Ru(bpy)_3^2+and diffusion coefficients of Co(bpy)_3^2+in silica gels and organically modified silica gels.

My Education

Take a look at my formal education

PhD in Chemical EngineeringUniversity of Notre Dame | 2008
BS in Chemical EngineeringKansas State University | 2002

About Me

Brian Novak

I have 15+ years of experience as a computational scientist using molecular simulation models to analyze & predict molecular behavior/properties. My skill set includes statistics, machine learning, data analysis & visualization, Python, SQL, etc.

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