Scientists have developed an AI system that can rapidly predict complex defect patterns in liquid crystals, cutting simulation times from hours to milliseconds. The approach could transform how ...

Automatically numbering and weighting electronic states instead of taking averages improves estimates of target molecular orbitals.

Learn how to build a 3D solar system simulation using Python! This tutorial guides you through coding planetary motion, visualizing orbits, and creating an interactive model of our solar system.

In this video, we build a Python simulation to compute the electric field produced by a uniformly charged ring. Using numerical integration, we visualize the field behavior and compare it with key ...

Quantum Computing Exploration: Molecular simulator prototype built with IBM Qiskit. A hands-on proof of concept developed in hours, demonstrating practical application of quantum algorithms for ...

Article subjects are automatically applied from the ACS Subject Taxonomy and describe the scientific concepts and themes of the article. A third and novel class of algorithms, introduced by Baroni and ...

Shown here is an Illustration of predicted binding modes between a large, flexible ligand and its protein receptor, depicting the dynamics influencing the strength of the molecular interactions. By ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. EncoderMap is a dimensionality reduction method that is tailored for the analysis of ...