Myo Oo·10h agoDid the US DOE Really Break Catalysis’s 100-Year Sabatier Limit?Why Dynamic Programmable Catalysts Trade a Chemical Bottleneck for an Electrical Power Cord — and How Passive 3D Pocket Geometry Breaks the…
InThinkArtbyZayd Islam·2d agoDaily Chemistry Mindset: Day 1 — The Ice Cube ParadoxWhy water breaks the golden rule of matter — and what it means for your morning iced coffee.
Dr Peter Fox·Oct 29The Hydrogen Atom: Analytic and Computational Chemistry from First PrinciplesPart 2 of my “Why is water bent?” blog series
Dr Peter Fox·Oct 23Structure and emergence: why is water bent?A test case for molecular geometry investigations (Post 1)
Shishir Iyer·Sep 22Automated optimization of a molecular simulation programNote: this post is a simplified overview of this paper I worked on with the Paesani Research Group at UC San Diego.A response icon2A response icon2
Veer Patel·Sep 18From Generating Molecules to Making Them: What Synthesis-Aware AI Actually RequiresThe evolution of molecular design — shifting from language models to continuous 3D geometry — has fundamentally expanded what we expect…A response icon2A response icon2
Allu Vamsi Pavan Kumar·Sep 7Designing Molecules in More Than One Representation: The Rise of Multimodal AI in Drug DiscoveryChemistry is more interesting because the modalities are not merely different ways of observing the same object, they describe different…
InForce Field Sciencebydspoel·Sep 3We have to talk about sodium chloride…… or rock salt, or table salt, whatever you want to call it. Anyway, the stuff you add to your rice or potatoes every day.
Wasiu Adebayo Hammed, PhD·Aug 14Molecular Descriptors: Turning Molecular Structures into NumbersA Chemist’s Guide to Cheminformatics • Article 5 of 11
