News

The latest posts from our newsletter. Learn why we started Rowan and hear when we release new products and features.

Making Rowan Easier To Use

collaboration in organizations; predicting slow jobs; myriad ui/ux improvements; faster conformer searching; new AIMNet2; vDZP preprint
Nov 26, 2024 · Ari Wagen, Corin Wagen, Spencer Schneider, and Jonathon Vandezande
Making Rowan Easier To Use

Redox Potentials, Education, and Documentation

more efficient + accurate ways to compute redox potentials; using Rowan in the classroom; improving our documentation
Nov 14, 2024 · Corin Wagen, Ari Wagen, and Jonathon Vandezande
Redox Potentials, Education, and Documentation

Rowan Goes Periodic

periodic vs molecular; why periodic matters; tblite; open materials 2024 on GPU; more in the future
Oct 25, 2024 · Corin Wagen, Ari Wagen, Jonathon Vandezande, and Spencer Schneider
Rowan Goes Periodic

DiffLinker, MMFF94, and Common DFT Errors

iteration cycles in chemistry; generative AI for linker design; forcefield optimizations; handling common DFT errors
Oct 16, 2024 · Ari Wagen and Corin Wagen
DiffLinker, MMFF94, and Common DFT Errors

Descriptors & PCA

empirical vs physics-based modeling; molecular representations; our descriptors workflow; PCA for visualizing chemical space; metal-organic complex spin states; input structures with PubChem; AI Grant
Oct 10, 2024 · Ari Wagen, Corin Wagen, and Jonathon Vandezande
Descriptors & PCA

You Can Now Subscribe to Rowan (And Why You Should)

our vision for Rowan; new pricing model; academic plans; bond-dissociation-energy workflow; improvements to our API
Sep 18, 2024 · Corin Wagen, Ari Wagen, and Jonathon Vandezande
You Can Now Subscribe to Rowan (And Why You Should)

Predicting ADMET On Rowan

pros and cons of global ADME/toxicity prediction; some case studies
Aug 29, 2024 · Corin Wagen and Ari Wagen
Predicting ADMET On Rowan

Spin States & Multistage Optimizations

why it matters; our approach; some case studies
Aug 22, 2024 · Corin Wagen, Jonathon Vandezande, and Ari Wagen
Spin States & Multistage Optimizations

Summer Speed Optimizations

making rowan faster: approximate guess Hessians; new compute backends, &c
Aug 14, 2024 · Corin Wagen
Summer Speed Optimizations

Summer Updates To Rowan

Psi4 now available; new structure editor features; conformer search supports metals
Jul 9, 2024 · Ari Wagen, Corin Wagen, and Jonathon Vandezande
Summer Updates To Rowan

Fukui Indices & Global Electrophilicity

predicting regioselectivity + reactivity; applications to synthesis & metabolism; updates to our team
Jun 18, 2024 · Corin Wagen, Jonathon Vandezande, and Ari Wagen
Fukui Indices & Global Electrophilicity

Predicting Redox Potentials With Rowan

why it matters; insensitivity to theoretical precision; our workflow; applications
May 29, 2024 · Corin Wagen
Predicting Redox Potentials With Rowan

Spring Updates To Rowan

new ui/ux; little calculations are now free; updates to our team
May 17, 2024 · Corin Wagen and Ari Wagen
Spring Updates To Rowan

Tautomer and Conformer Workflows Now Available

importance of tautomers and conformers; how it works; benchmarks
Mar 28, 2024 · Corin Wagen
Tautomer and Conformer Workflows Now Available

TeraChem Now Available On Rowan

GPU fundamentals; adapting quantum chemistry to GPUs; how to run TeraChem
Mar 22, 2024 · Corin Wagen and Ari Wagen
TeraChem Now Available On Rowan

Taking Security Seriously

external vs internal security; what we've done wrong; API changes and AMI listing; where we hope to go
Mar 15, 2024 · Corin Wagen and Ari Wagen
Taking Security Seriously

Rowan pKa: Fast and Accurate Prediction of pKa Values with Minimal Empiricism

why we chose this problem; how Rowan pKa works; benchmarking on real systems; the future of ML + quantum chemistry
Mar 8, 2024 · Corin Wagen and Ari Wagen
Rowan pKa: Fast and Accurate Prediction of pKa Values with Minimal Empiricism

AIMNet2 Now Available on Rowan

two orders of magnitude faster than conventional DFT; glimpsing the future of computational chemistry
Jan 19, 2024 · Corin Wagen and Ari Wagen
AIMNet2 Now Available on Rowan

Studying Atropisomers with Rowan

When trying to explain what Rowan is, I often find that other scientists struggle to understand what quantum chemistry is or how it can be useful.
Jan 8, 2024 · Corin Wagen
Studying Atropisomers with Rowan

Rowan's Beta Launch

Five months later, here we are.
Dec 12, 2023 · Corin Wagen and Ari Wagen
Rowan's Beta Launch

Quantum Chemistry in Drug Discovery

How it's used at present, and opportunities for the future.
Oct 12, 2023 · Corin Wagen
Quantum Chemistry in Drug Discovery

Why We're Building Rowan

Here's an unfortunate truth: when it comes to software, science is decades behind other fields.
Aug 24, 2023 · Ari Wagen and Corin Wagen
Why We're Building Rowan