Dan Gezelter

@gezelter.bsky.social

1003 Followers 814 Following

Thinks about chemical education, theoretical chemistry, open science, molecular dynamics, and ice. The first “Dr. Who” for the Jmol team, Bagpiper, Dad. Chemistry Professor & Department Chair @ University of Notre Dame. Posts are my own.

A candle-lit jack-o-lantern
A LaTeX equation for the Lennard Jones Potential: V_\mathrm{LJ}(r) = 4 \varepsilon \left( \left(\frac{\sigma}{r}\right)^{12} - \left(\frac{\sigma}{r}\right)^6 \right)
Cloud of words in various colors and sizes based on a Google Scholar profile. Some of the largest words include dynamics molecular open thermal interfaces ice simulations electrostatics gold study friction multipoles properties transport conductance engine ewald interfacial models real role simulation space water 557 alternatives dipolar ice-ihwater method model