Computational Chemist with a strong background in Biostatistics

CV Shadi Houshyar Azar *

Shadi Houshyar Azar *************@*****.***

Curriculum Vitae LinkedIn

SUMMARY

Pharmaceutical/Computational Chemist (Ph.D.) with a strong background in statistics and data science backed by 6+ years of hands-on research experience using advanced molecular modeling techniques, predictive modeling, and machine learning algorithms. Dedicated to advancing scientific research and delivering innovative drug discovery and development solutions. EDUCATION

Ph.D. in Pharmaceutical Chemistry

Rowan University US- 2023

M.Sc. in Physical Chemistry

Azarbaijan Shahid Madani University Iran- 2009

B.Sc. in Applied Chemistry

Tabriz University Iran- 2006

CONTINUOUS EDUCATION

Data Science and Machine Learning, Massachusetts Institute of Technology (MIT). Verified certification, available here: (https://olympus1.mygreatlearning.com/certificate/IOPSUNDL). PROFESSIONAL EXPERIENCE

Lecturer University of Pennsylvania Philadelphia, PA 1/2025-Present

• Teach biostatistics and data science to 100+ undergraduate students.

• Develop and deliver lectures on statistical analysis, regression models, hypothesis testing, and data visualization in biology.

• Guide students in using Python for data-driven biological research. Research Scholar University of Pennsylvania Philadelphia, PA 5/2024-Present

• Develop an integrated machine learning/molecular dynamics platform to accelerate the optimization of lipid nanoparticles (LNPs) for mRNA delivery.

• Determine the mechanism and kinetics of the membrane fusion process to enhance mRNA endosomal escape using coarse-grained molecular dynamics simulations.

• Write grants for research funding in the field of integrated AI and molecular modeling for drug discovery and review scientific manuscripts for peer-reviewed journals. Research Scientist Rowan University Glassboro, NJ 7/2023-5/2024

• Developed aromatic oligoamide sequences to selectively bind to the allosteric or active sites of proteins to control and regulate their activity using computational techniques.

• Determined the primary interactions responsible for the formation of nanoparticles utilized in drug delivery using atomistic molecular dynamics simulations. Graduate Research Assistant Rowan University Glassboro, NJ 9/2017-5/2023

• Enhanced the accuracy of molecular dynamics simulation for the precise representation of aromatic aligoamide helices by re-parameterizing the force field parameters using quantum mechanical (QM) methods.

CV Shadi Houshyar Azar 2

• Designed protein mimic foldamers with transport functions with promising water permeability and selectivity, comparable to natural water channels, known as aquaporins using computational methods.

• Constructed machine learning algorithms to predict transport properties of foldamer-based artificial water channels based on their structural features. Graduate Student Instructor University of the Sciences Philadelphia, PA 8/2017-5/2019

• Lectured and instructed chemistry laboratories to a group of 200 students pursuing chemistry and pharmacy studies.

Research Scholar Drexel University Philadelphia, PA 3/2014-8/2017

• Developed a computational approach that combines the COSMO-RS model with quantum mechanical (QM) methods to predict the influence of ionic liquids on the separation of azeotropic systems, advancing the field of separation science and technology.

• Predicted vapor-liquid equilibrium (VLE) behavior of binary mixtures using the NRTL (Non- Random Two-Liquid) model to design and optimize separation processes for azeotropic systems.

Lecturer Azad University-Ahar Branch Tabriz, Iran 1/2012-12/2013

• Lectured and tutored a variety of undergraduate-level science courses. Research Associates R&D Center, Tabriz Petrochemical Complex Tabriz, Iran 7/2011-12/2011

• Produced expandable polystyrene for packaging applications using the suspension polymerization method.

• Determined the composition of additives in polyolefins, ensuring quality assurance by employing GPC-HPLC, HPLC, FTIR, and XRD techniques. HONORS and AWARDS

Chapter Recognition Student Travel Award (AWIS-PHL, 2020-2021).

• Recognized for outstanding contributions to research in the field of chemistry by the Association for Women in Science, Philadelphia chapter.

William H. Gano Graduate Fellowship (University of the Sciences, 2020-2021).

• Acknowledged as an outstanding graduate student who made significant contributions to research throughout the entire university.

The Ahuja Academy of Water Quality Endowment Fund Graduate Fellowship (University of the Sciences, 2018-2019).

• Acknowledged for outstanding contributions to water research, showcasing a profound impact in the field. Jacob Gelb Scholarship (University of the Sciences, 2017-2018).

• Awarded to one highly qualified graduate student from each graduate program. RESEARCH SKILLS

Machine Learning and Data Analysis

• Regression & Classification: Simple and Multiple Linear Regression, Polynomial Regression, Logistic Regression, K-nearest neighbors (KNN), Support Vector for Regression (SVR), Kernel SVM, Decision Tree, Random Forest

• Clustering: K-means Clustering

• Artificial Neural Network (ANN)

CV Shadi Houshyar Azar 3

• Dimensionality Reduction: Principal Component Analysis (PCA), kernel PCA

• Recommender Systems: Collaborative Filtering, Matrix Factorization

• Basic Natural Language Processing (NLP)

Verified completed projects, available here: (https://eportfolio.mygreatlearning.com/shadi-houshyar-azar). Computational

• Operating Systems: Windows, macOS, Linux

• Quantum Mechanics: Gaussian, ADF, HyperChem, COSMOtherm

• Molecular Dynamics: Amber, Gromacs, BIOVIA Discovery Studio

• Protein Docking: Schrodinger

• Statistical Software: SAS, Python

• Database Management Systems: SQL

• Programming Language: Bash, Perl, Python

• Drug Discovery: RDKit, Simulations Plus.

• Math Software: Mathcad, Advanced Excel

Experimental

• Characterization: HPLC, GC, XRD, FTIR.

PUBLICATIONS & PRESENTATIONS

1. K. Feng, E. Yoo, D. Nie, Z. Cheng, S. Houshyar Azar A. Amirshaghaghi, A. Tsourkas “Hemin-coated nanoparticles as drug delivery vehicles for chemotherapeutic agents in cancer therapy”, ACS Appl. Nano Mater. 2023, 6, 20678−20687. 2. S. Houshyar Azar, R. Radhakrishnan “Integrating AI and MD simulations to accelerate LNP development for enhanced mRNA delivery.” (manuscript in preparation).

3. M. Seyedahmadian, S. Houshyarazar, A. Amirshaghaghi “Synthesis and characterization of nanosized of spinel LiMn2O4 via sol-gel and freeze drying methods”, Bull. Korean Chem. Soc. 2013, 34, 622-628. 4. S. Houshyar Azar, Z. Liu, V. Pophristic “Foldamer-based artificial water channels”. Presented at:

• Research Day Symposium at Rowan University, New Jersey, USA, April 2022.

• ACS-YCC Meeting, Philadelphia, USA, January 2020.

• ACS Conference, San Diego, USA, August 2019.

• Polymer in Life Sciences Conference, Philadelphia, USA, May 2019.

• ACS-YCC Meeting, Philadelphia, USA, April 2018.

• NanoMARM: 46th Middle Atlantic Regional Meeting, Philadelphia, USA, June 2018.

• Research Day Symposium at University of the Sciences, Philadelphia, USA, April 2018. 5. A. Amirshaghaghi and S. Houshyar Azar “Preparation of Spherical and Rod Shape Nanopowder by Polymer Template”, PPS Conference, Kish Island, Iran, November 2011. 6. M. Seyedahmadian and S. Houshyar Azar “Synthesis and Characterization of Nanopowder of Metalic Oxides for Lithium-ion Batteries by Freeze drying method”, 7Th Nano Technology Iranian Students Conference, Tehran, Iran, May 2010.

7. M. Seyedahmadian and S. Houshyar azar “Synthesis and Characterization of Nanocrystalline LiCo1-xMnxO2(0 x 0.05) as a Cathode Material for Lithium-ion Batteries by Freeze drying Method”, CICC-6 Conference, Harbin, China, August 2009.

8. M. Seyedahmadian and S. Houshyar Azar “Characterization of Particulate Sol-gel Synthesis of Orthorhombic LiMnO2 and Cubic Spinel LiMn2O4 Via Citric Acid Assistance with Different Solvent as a Cathode Material for Lithium-ion Batteries”, Nanospain Conference, Zaragoza, Spain, March 2009.

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