The electrochemical reduction of CO2 (eCO2R) is a promising approach for converting CO2 into valuable chemicals and fuels using renewable energy sourc…

Direct electrochemical CO2 reduction (ECR) into carbon-based fuels and chemicals is a promising way to upgrade waste CO2 with renewable energy, contributing to closing carbon cycles and mitigating cli...

Electrochemical reduction of CO2 to formic acid (HCOOH) can contribute to the renewable energy transition as a liquid carrier of renewably hydrogen. H…

ArXiv link for Toward Exascale AI for Science: A Scalable AI Skill for Autonomous Microkinetics Discovery

ArXiv link for Toward Exascale AI for Science: A Scalable AI Skill for Autonomous Microkinetics Discovery

SandboxAQ, a company founded as an Alphabet spinout about five years ago, is simplifying access to complex drug discovery and materials science models by integrating them into Anthropic's Claude AI platform. Traditionally, using SandboxAQ's large quantitative models (LQMs), which simulate molecular dynamics, quantum chemistry, and microkinetics, required specialized computing infrastructure. These models, grounded in physics rather than textual data patterns, allow researchers to predict how molecules will behave before conducting laboratory experiments, potentially saving time and billions in research costs. The new integration lets researchers interact with these advanced models using natural language through Claude, removing technical barriers and making cutting-edge tools more accessible to computational scientists, research scientists, and experimentalists at pharmaceutical and industrial companies. While other AI startups in the field have focused primarily on developing sophisticated models, SandboxAQ emphasizes usability, targeting scientists who need practical solutions for real-world challenges. This collaboration represents a shift toward democratizing high-level scientific AI, enabling users to access frontier quantitative models without the need for advanced computing expertise or extensive technical training. SandboxAQ has raised over $950 million and counts Eric Schmidt as chairman, underscoring its significant presence in AI-driven scientific research.

Single-atom catalysts (SACs) display prominent performance and high metal utilization for numerous catalytic processes. Harnessing the interaction bet…