Research Summary:

The broad view of my research focuses on developing machine learning methods that combine theory and experiment to tackle problems in structural biology and cheminformatics. My first original research proposal resulted in a first authorship and a submission to the SAMPL7 challenge. Since then, I have submitted in the SAMPL8 physical property challenge to study the effects of various machine learning models using our in-house database that I curated. In addition, with the help of some lab members, we have just recently submitted in the SAMPL9 host-guest challenge. The main focus of my dissertation research is centered around the algorithm BICePs (Bayesiain Inference of conformational populations), which is designed for force field validation and parameterization.

The BICePs has recently been turned into a Python 3 module and labeled BICePs 2.0 with documentation, enhanced analysis and MCMC convergence checking.

My current work

Robert M. Raddi

Theoretical Chemist/Graduate Research Assistant

Summary

I'm a theoretical chemist from the greater Philadelphia area who loves experiencing diverse cultures, meeting new people, hiking, and programming. The broad view of my research focuses on developing scientific software packages that use machine learning/physical based approaches to tackle problems in chemistry and structural biology. Currently, I work in the Voelz Lab as a graduate research assistant in pursuit of obtaining a Ph.D. in Theoretical/Physical Chemistry from Temple University.

Philadelphia, PA
267-312-0604
Education
Temple University
Doctor of Philosophy — PhD, Theoretical Chemistry;   Advisor: Dr. Vincent Voelz
2018 - 2023

Temple University
Bachlors of Science — B.S, Chemistry;
2013 - 2017

History/Experience

    2021

  • Sept. — Dec.

    Research Assistant
    Award: (Aug.) 1st place poster presentation at ACS EUS YCC Research Symposium

  • May. — Sept.

    Research Assistant

  • Jan. — Apr.

    Research Assistant

    • 2020

  • Jan. — Apr.

    Teaching Assistant, Physical Chemistry of Biomolecules & Techniques of Chemical Measurement II

    • 2019

  • Sept. — Dec.

    Teaching Assistant, Physical Chemistry of Biomolecules & General Chemistry I laboratory
    Awards: The Guy Allen Award for outstanding teaching.

  • May. — Sept.

    Graduate Research Assistant
    (June) Acedemic Intern for Computing & Statistics Summer Workshop, Temple University Physics department

  • Jan. — April.

    Teaching Assistant, Chemistry for Engineers recitation & General Chemistry II laboratory
    Certification: Teaching in Higher Education Certificate

    • 2018

  • Sept. — Dec.

    Teaching Assistant, General Chemistry I recitation & laboratory

Publications
  1. Raddi, Robert, and Vincent Voelz. "Stacking Gaussian Processes to Improve pKa Predictions in the SAMPL7 Challenge." (2021).
  2. Voelz, Vincent A., Yunhui Ge, and Robert M. Raddi. "Reconciling simulations and experiments with BICePs: a review." Frontiers in Molecular Biosciences 8 (2021): 325.
  3. Robert M. Raddi, Yunhui Ge, and Voelz, Vincent A. "BICePs 2.0: new tools for Bayesian Inference of Conformational Populations from Theory and Experiment."
    submitted
  4. Robert M. Raddi, Tim Marshall, Yunhui Ge, and Voelz, Vincent A. "BICePs RepX: Force Field Validation by Bayesian Inference."
    in preparation
  5. Robert M. Raddi, Richard Baxter, and Voelz, Vincent A. "Reconciling simulated ensembles of Serotransferrin with experimental SAXS intensities."
    in preparation
Skills & Programming Languages

Primary Programming Languages: Python, C/C++, Bash, Visual Basic for Applications (Microsoft Excel macros)

Markup Languages: Markdown, HTML/CSS, LaTex

High performance computing (Owlsnest), Distributed computing platform (Folding@home)

Proficient with the following programs: LabView & AutoCAD (engineering software), Gromacs & OpenMM(molecular dynamics simulations), Chimera & VMD-Visual Molecular Dynamics (interactive molecular visualization), mMASS (Mass spectrometry data acquisition and processing), TopSpin (NMR data acquisition and processing)

Other Experience:

December 2008 - September 2018      Janitor/Handyman, Lords & Ladies Salon and Medical Spa
  • Responsible for the cleanliness of the floors each week
  • Performed repairs and standard maintenance of beauty salon and apartment complex
August 2011 - March 2014      Detailer/Lot Attendant/Shuttle Driver, Peruzzi Nissan Buick GMC