What Isaiah and Sawyer Learned This Summer

Computers and a mountain

AI-generated art by Andy Masley, 2025

Over the last weeks, our last interns—Isaiah and Sawyer—concluded their internships with Rowan. Isaiah did a lot of useful work for our company, including building a series of labs illustrating how computational chemistry can be used to improve chemical education: check out his Diels–Alder lab and his stereochemistry lab.

Sawyer worked on assessing how well NNPs could predict reduction potentials and electron affinities (see his paper here) alongside a few other internal research projects. He ran over 14,000 workflows during his seven-week internship; that's a workflow every 5 minutes, even counting nights and weekends. (In unrelated news, our API is getting pretty good.)

Here's how they responded to our intern-exit-interview questions. (As in our previous intern reflections, it seems question 5 is becoming "the GeoGuessr question.")

Isaiah's Answers

What are five things you learned during your internship at Rowan?

  1. Textbooks and traditional lab experiments can only teach so much. Even if there's a lot of great learning that can be done in those mediums, computational tools offer a flexibility of exploration that isn't really viable in any other form.

  2. Making lessons and labs is hard. It turns out to be frustratingly difficult to give students the breadcrumbs they can follow to a conclusion without just practically giving them the conclusion you need them to reach.

  3. Sometimes, LLMs just lie. I learned this the hard way, when after several hours of attempted debugging it turned out the feature I needed was included on v0.20, when v0.19 was the latest version that actually existed.

  4. There's often a sharp divide between educational science tools and specialized "real" science tools, and this doesn't need to be the case. If the tools are well made, it shouldn't need to matter who's using it.

  5. With enough practice, one can figure out when an Australian city is Brisbane based on nothing but vibes.

A street with palm trees, shadows pointing south, cars driving on LHS.

Archetypal StreetView footage of Brisbane.

What's one thing you're hoping to learn more about following your time at Rowan?

I hope to learn more about how chemistry education can still be improved, especially in introductory levels of chemistry where the building of chemical intuition is so vital. 

Isaiah returns to Cambridge Rindge & Latin School this fall, where he will be a senior.

Sawyer's Answers

What are five things you learned during your internship at Rowan?

  1. Multitasking is a great skill in computational chemistry. While you're waiting for calculations to finish running, you can always be doing something else that's productive.

  2. Things involving APIs/Git/programming are often hard to set up, but you get a lot of utility out of them once you're used to them.

  3. When you're writing something (e.g., a research paper), you have to carefully anticipate questions or critiques readers might have about what you're writing, and address them in your paper ahead of time. (Unless you take your role as "corresponding author" really seriously and want to answer a bunch of emails.)

  4. Though they have their shortcomings, ML-based models show a lot of promise in computational chemistry. They're not only fast, but accurate, even when you might not expect them to be.

  5. The distinguishing feature about Bogotá is the yellow license plates, although the UK and parts of Southeast Asia also have yellow license plates. But Bogotá can easily be distinguished by the distinctive grid of calle/carrera streets.

A meme explaining that Bogota has yellow license plates.

Rowan internal meme, 2025 (colorized)

What's one thing you're hoping to learn more about following your time at Rowan?

The ways that different computational chemistry methods fundamentally work. I've used a ton of different methods throughout my time at Rowan, but it would be nice to develop a good understanding of what's going on behind the scenes.

Sawyer starts his undergraduate studies at Caltech this fall. Good luck Sawyer! If you're a professor at Caltech, consider reaching out to him.

Banner background image

Start running calculations in minutes!

Our platform lets you submit, view, analyze, and share calculations using cutting-edge methods trusted by hundreds of leading scientists. We give every new user 500 free credits to start, plus more every week. Making an account and running your first calculation takes only seconds: start using Rowan today!

Start computing →

What to read next

Modeling Carbonyl–Olefin Metathesis with Neural Network Potentials

Modeling Carbonyl–Olefin Metathesis with Neural Network Potentials

Reproducing a tricky mechanistic result from grad school with LLMs and NNPs.
Nov 2, 2026 · Corin Wagen
Do Co-folding Models Notice When You Change the Pocket?

Do Co-folding Models Notice When You Change the Pocket?

Running published pocket-mutation tests on six co-folding models in Rowan.
Nov 2, 2026 · Spencer Schneider
Modeling Selectivity with Low-Cost Binding-Affinity Methods

Modeling Selectivity with Low-Cost Binding-Affinity Methods

Exploring whether Vina, Gnina, Boltz, Nesso, or UMA can capture trends in JAK1/JAK2 selectivity.
Oct 28, 2026 · Ari Wagen
Making FEP Better

Making FEP Better

RESP charges, per-ligand custom forcefields, & cofactors in FEP; natural transition orbitals and transition densities; probing LLM capabilities in folding proteins; design for nighthawks
Oct 20, 2026 · Corin Wagen, Eli Mann, Jonathon Vandezande, Ari Wagen, and Ishaan Ganti
Persistent Hydration Sites and Water Exchange in Daraxonrasib Simulations

Persistent Hydration Sites and Water Exchange in Daraxonrasib Simulations

A site can stay occupied even as individual water molecules come and go.
Oct 19, 2026 · Ishaan Ganti
Testing Binding-Affinity Prediction in Rowan

Testing Binding-Affinity Prediction in Rowan

Benchmarking single-point interaction energies and ML affinity models in Rowan's binding-affinity workflow on the JACS set, and how much pose optimization and pocket selection matter.
Oct 13, 2026 · Zachary Fried
Guided Inverse Folding with LLMs

Guided Inverse Folding with LLMs

Testing frontier LLMs on guided protein inverse folding, sequence diversity, and ligand-selective design.
Oct 7, 2026 · Ishaan Ganti
Organizations for Everyone

Organizations for Everyone

how organizations work; collaborating across teams; API keys; pricing
Oct 5, 2026 · Spencer Schneider and Ari Wagen
Binding Affinity Beyond Boltz-2

Binding Affinity Beyond Boltz-2

affinity vincit omnia; Rowan's new unified binding-affinity workflow; GNINA, AEV-PLIG, and Nesso-1; single-point interaction energies
Sep 25, 2026 · Zachary Fried and Corin Wagen
High-Throughput Virtual Screening

High-Throughput Virtual Screening

a new area for Rowan; expanding into HTVS through a new partnership with onepot; why we're excited, and how to get started
Sep 22, 2026 · Corin Wagen and Ari Wagen