Meet Stefani: A Paris-Based Quantum Chemist Exploring Molecular AI with Neovarsity

Update [April 2024]: Stefani has joined Iktos, a Paris-based AI-driven drug discovery company, as an Application Scientist.

Introduction

Stefaní Gamboa, originally from Uruguay and now residing in the dynamic city of Paris, holds a Ph.D. in Computational Chemistry from Aix-Marseille University, France. Her research contributions in esteemed journals like Chemical Communications and Chemistry - A European Journal underscore her expertise in the field.

With a primary focus on quantum chemistry, specifically in studying transition metal complexes, Stefaní has consistently demonstrated a commitment to advancing scientific frontiers.

Building upon her proficiency in computational chemistry, she is currently immersed in the Molecular AI Specialization at Neovarsity.

This advanced curriculum serves as the key to closing the loop in her skill set, equipping her with the tools to apply modern data-driven approaches in handling small molecules, thus enhancing her capabilities to new heights.

Stefani’s Research Journey

During her PhD, Stefaní's collaboration with the Max Planck Institute delved into the intricate world of magnetic systems, pivotal in applications ranging from data storage to quantum computing.

The challenge of predicting magnetic properties through computational methods sparked her interest, leading to an exhaustive study utilizing state-of-the-art approaches like CASSCF, DMRG, DDCI, CC-BS, and BS-DFT. This work shed light on the multifaceted nature of electronic states and the associated correlations, offering valuable insights into the complexities of magnetic systems.

In her applied computational chemistry endeavors, Stefaní applied tools such as DFT and ab initio methods to unravel various aspects of systems related to renewable energy and artificial photosynthesis.

From elucidating reaction mechanisms using Nudge Elastic Band (NEB) to extracting spectroscopic features and computing redox potentials, Stefaní showcased the versatility of computational methods in addressing real-world challenges.

Her work in this area underscored the intersection of computational chemistry with renewable energy sources, highlighting the practical implications of her research.

Why Stefani Chose to Explore Molecular AI

Emerging from the realm of quantum chemistry, Stefani nurtured a growing aspiration to cultivate expertise in the data-driven discovery of small molecules.

Her intrigue deepened as she immersed herself in the innovative domain of artificial intelligence applied to small molecules. With a robust foundation in computational chemistry, Stefani discerned the transformative potential of integrating AI into the small-molecule discovery process. This realization propelled her towards seeking fresh horizons within this interdisciplinary field.

In Stefani's own words:

"After finishing my PhD, I am looking for a career that involves working with cutting-edge technology and quantum chemistry simulation, particularly in fields like drug discovery. In recent years, I have become more interested in designing small molecules with potential applications as catalysts or as drug candidates. Since I started my academic formation, one of my professional interests has been in the pharmaceutical sciences field, specifically in applying molecular chemistry to design potential drug candidates. As I explored more into the field, I recognized the importance of cheminformatics, advanced machine learning and artificial intelligence models to close the loop towards my interest in the drug discovery process. In this regard, the Molecular AI Specialization with Neovarsity has provided me with the theoretical and practical expertise to apply in my research fields and helped me start new ones related to drug discovery. I have learned how to use cheminformatics as a crucial and powerful tool in the design of small molecules, how to calculate molecular descriptors and fingerprints from scratch related to my system’s properties, and how to use it in a machine learning algorithm. Currently, I am exploring new projects related to drug discovery, where I am applying methods such as Quantitative Structure-Activity Relationship (QSAR), clustering, combinatorial library design and advanced machine learning algorithms - all skills acquired during my training with Neovarsity."

The decision to embark on this journey was not made lightly. It stems from a profound belief in the ability of AI to revolutionize the landscape of small-molecule discovery, offering novel perspectives and solutions to longstanding challenges.

Neovarsity's Molecular AI Specialization emerged as the ideal conduit for this pursuit. Its exclusive focus on small-molecule discovery and the integration of machine learning and artificial intelligence perfectly resonated with Stefani's academic and research background and her career aspirations.

Current Status and Goals

Currently situated in the heart of Paris, Stefaní Gamboa possesses not only a robust background in computational chemistry but also proficiency in the programming language Python.

This well-rounded skill set positions her as a formidable force, poised to explore the synergies between her existing expertise and the cutting-edge tools acquired through Neovarsity's Molecular AI Specialization. Notably, she is gaining intensive hands-on experience in the adept handling of small molecules on a large scale, further enriching her capabilities and paving the way for innovative contributions in her chosen field.

Stefaní envisions leveraging her knowledge to make meaningful contributions to the expansive field of small-molecule discovery. Whether in therapeutics, crop sciences, material sciences, or renewable energy, her goal is to carve a niche where her passion and expertise converge, ultimately seeking a role that aligns seamlessly with her vision for a dynamic and impactful career.

About her future career goals, Stefani says:

“With a Pharmaceutical Chemistry degree, practical experience with industry leaders, and a PhD in theoretical chemistry, my main interest lies in the frontier of experimental and computational chemistry. During my PhD, I explored various computational tools such as DFT and ab initio methods to analyze magnetic, electronic and optical properties in metal complexes to the design of small molecules, contributing to fields like catalysis and artificial photosynthesis. Currently, I am interested in working with drug design, where I can apply my expertise in chemistry, pharmaceutical sciences, simulation and scientific research to contribute to this ground-breaking area. I am deeply interested in working with advanced simulation techniques in drug discovery, and I am particularly driven to make a meaningful contribution to the field.”

Closing Thoughts

In closing, Stefaní's journey encapsulates the spirit of continuous learning and adaptation. Now, as she is finishing the Molecular AI Specialization at Neovarsity, the next chapter promises to be a synthesis of her diverse experiences, culminating in a profound impact on the field of small-molecule discovery.

Note for Recruiters

For recruiters seeking a dynamic professional with Stefani's unique background in and around Paris, don't hesitate to reach out. Stefani welcomes inquiries, either through us support[a]neovarsity.org or via her LinkedIn profile, offering a valuable intersection of expertise in computational chemistry, programming, and intensive hands-on experience with small molecules through Neovarsity's Molecular AI Specialization.

Update [April 2024]: Stefani has joined Iktos, a Paris-based AI-driven drug discovery company, as an Application Scientist.

What Stefani has to say:

About Molecular AI Specialization:

Our Molecular AI Specialization is a tailored curriculum designed to empower individuals with the expertise to leverage machine learning and artificial intelligence in small-molecule drug discovery. This specialization bridges the gap between conventional pharmaceutical research and cutting-edge computational drug design.

Interested in joining our Molecular AI Specialization like Stefani? Contact us for personalized counseling. Initiate an online chat or contact us at support[a]neovarsity.org.

Explore the experiences of learners who have embarked on the Molecular AI Specialization journey at Neovarsity. Read here.

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