DFT Part 2: Why do orbitals appear in a density theory? — The Kohn–Sham method

IntroductionLast time, we introduced the Hohenberg–Kohn theorem, which is the starting point of Density Functional Theory ...
BIOENGINEER

AI Model Predicts Molecular Curvature Directly, Skipping Costly Derivatives

A new deep learning architecture called Hessian Interatomic Potentials predicts the full molecular Hessian directly, ...
GitHub

Phase-Only Computer-Generated Holography

A Python implementation of phase-only computer-generated holography using the Gerchberg–Saxton (GS) algorithm. The project reconstructs a target image from a phase-only hologram and tracks ...
BIOENGINEER

Conducting Polymer Composite Snaps Dark to Reveal Toxic Chromium and Iron in Water

A water-soluble polyaniline–sulfonated phenol formaldehyde composite detects hexavalent chromium and ferric iron at nanomolar ...
quantumzeitgeist

Graphene’s ‘magic angle’ reveals quantum stable states at key electron counts

Raehyun Kim, Woochang Kim, Kevin D. Stubbs, Steven G. Louie, and Lin Lin recover robust insulating Kramers intervalley ...
EE Times

PCBA Test Strategies: How to Select the Right Methodology and Tester

Learn how to optimize your PCBA testing strategy by combining In-Circuit Testing, Functional Testing with Bed-of-Nails or Flying Probe Testers.
Science

AIMNet2-rxn: A machine-learned potential for generalized reaction modeling on a millions-of-pathways scale

Mechanistic modeling of chemical transformations offers a compelling basis for understanding reactivity and allows for ...
Nature

Extracellular matrix articles from across Nature Portfolio

Here the authors show that αV-class integrins distinguish the RGD motif of vitronectin from other ligands and, within seconds, deploy β-subunit-specific, load-dependent programs in which αVβ3 and αVβ5 ...