Geoff Hutchison

@geoffhutchison.net

2932 Followers 1194 Following

Chemist, Scientist, Husband, Dad, Runner, Teacher. I develop Avogadro + OpenBabel to find new materials for energy applications @Pitt_Chemistry he/him

Banner in a garden with an oval formed by two interlocking hands and the text "The work never ends, but I'll gladly do it with you. Shoulder to shoulder, arm in arm. Please don't give up."
Janky, blurry concert snapshot from PPG Arena in Pittsburgh of Bruce Springsteen "Land of Hopes and Dreams" concert on May 19th
Avogadro2 rendering of PDB entry 9MBO reconstructed assembly
Photograph of David Waldeck - in the background is the University of Pittsburgh's Cathedral of Learning
Screenshot of vibe-coded "RSS Ranking" tool Dispatch indicating a set of unread journal articles, "Bookmarked" articles including [ASAP] General-Purpose Models for the Chemical Sciences: LLMs and Beyond
Caffeine molecule rendered as an electron density volume, showing red "clouds" for electrons
Rendering of highest occupied molecular orbital (HOMO) of a conjugated molecule showing conventional orbital isosurfaces in red and blue bubbles.
Photo of two cinnamon & cocoa babka loves
Screencast of Avogadro2 - mouse clicks insert 6 water molecules at various positions. Switching to the AutoOpt tool the water molecules rotate and form hydrogen bonds. The method is switched to UFF which lacks atomic charges and hydrogen bond terms, so the water molecules move apart. Finally, water molecules are dragged around to show repulsion and live geometry optimization
Screenshot of Avogadro app showing a Coordinate Editor window on the left with three atoms and Cartesian coordinates, as well as a unit cell of MgB2 to the right
Stage of Pittsburgh Public Theater's production of Trouble in Mind by Alice Childress, with a final quote by the playwright "I continue to create because writing is a labor of love and also an act of defiance, a way to light a candle in a gale of wind."
In the opulent glow of Santa Barbara’s gilded age, Ethyl and Methyl Dubbs, the radiant daughters of industrial titan Carbon P. Dubbs, find themselves the catalysts of a social reaction at the height of the season’s grand soirees. Amid the glittering chandeliers and alchemical whispers of the elite, Ethyl, a spirited debutante with a penchant for experimentation, finds her heart combusting for a dashing engineer whose wit is as sharp as his slide rule. Meanwhile, Methyl, the quieter but no less volatile sister, forms an unexpected bond with a poet whose words spark her imagination like a volatile compound. As rival suitors and family obligations threaten to destabilize their bonds, the Dubbs sisters must decide whether love is the true element they seek—or if their futures are destined to evaporate under the pressure of society’s expectations. In a tale where passion combusts, hearts react, and love bonds endure, the Dubbs sisters discover that chemistry is far more than science—it’s destiny.
Screenshot of Avogadro2 showing Extensions menu and xtb plugin submenu with commands for optimize, conformers, energy, frequencies, molecular dynamics, orbitals, help, etc.
AI generated image - "Cover art for a college textbook entitled "Physical Chemistry: Quantum Mechanics and Thermodynamics" featuring images of molecules, the Schrodinger equation, free energy and entropy"
The Rocinante starship from The Expanse series of books and show
Sunset view in Pittsburgh on November 17, 2024 with beautiful orange, red, pink colors reflecting off a few clouds and some blue sky
Ball and stick molecular rendering of LSD molecule
Image of an endofullerene - a translucent sodium atom encased in a C60 buckminsterfullerene molecule, rendered by Avogadro
Bar chart showing the performance of QupKake model against multiple previous works on two data sets, showing RMSE of 0.54-0.79 pKa units
Image of trisbipyridine iron(II) complex
Table of "paper sources" for Galactica large language model (LLM) e.g. https://arxiv.org/abs/2211.09085
chemical depiction of cyclam ligand
Molecule showing close-contact and real-time-shading in Avogadro
Photo of 3d-printed molecules