TorchSim: a next-generation atomistic simulation engine for the AI era

The study utilizes infrared spectroscopy and a machine-learned protocol to map spectroscopic fingerprints to atomistic structures. The authors demonstrate the accuracy of their network in predicting local atomistic structures and energetic variations, enabling the tracking of dynamic C–C coupling on Cu surfaces.

The upgraded engine features a state-of-the-art turbocharger, increasing peak torque from 1,494 to 1,760-foot pounds and peak power from 370 to 440 horsepower. The engine's peak efficiency has also improved to 44.0%, class-leading for a spark-ignited engine.

A team of scientists has created a novel computational framework that can accurately model biomolecular dynamics from high-speed atomic force microscopy (HS-AFM) imaging. This framework enables the inference of 3D atomistic models of dynamic protein conformations with unprecedented precision, even for large protein assemblies. By combi...

Researchers at the University of Groningen developed an atomistic model that predicts the driving force for microstructural twinning in shape memory alloys. This discovery can lead to the creation of new crystalline materials with improved reversible deformations, vibration damping, and impact absorption.

Researchers at NJIT analyzed nearly three decades of solar oscillation data to trace the Sun's magnetic engine, revealing a butterfly-shaped flow pattern in the deep solar interior. The findings point to the likely location of the star's magnetic engine deep beneath its surface, roughly 200,000 kilometers down.

SwRI successfully developed an optimized spark-ignited hydrogen engine for medium-duty commercial vehicles, demonstrating diesel-like torque characteristics while producing near-zero tailpipe CO2 emissions. The engine was designed, constructed, and rigorously tested to ensure efficiency and performance.