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News
ChemGraph: U.S. Argonne National Laboratory’s 13-Benchmark Framework to Evaluate Agent Value in Computational Chemistry
13+ hour, 34+ min ago (491+ words) A research team from the U.S. Argonne National Laboratory has proposed an LLM-driven agent system called ChemGraph, designed to execute molecular simulation workflows in the field of computational chemistry. Against this background, the research team from the U.S. Argonne National Laboratory proposed…...
AI-Driven Quantum Refinement: Carnegie Mellon University Proposes AQuaRef to Refine All-Atom Protein Model with Quantum Mechanics Constraints for the First Time
4+ mon, 1+ week ago (244+ words) This research aims to construct a parameterized model of machine learning potential functions for polypeptide systems. Therefore, in the dataset design, it is necessary to systematically cover three dimensions: chemical composition, conformational space, and intermolecular interactions. After obtaining the initial…...
Swiss Cleantech Company Divea: Developing Graphene Filters for CO2 Separation and Capture from Industrial Exhaust Gases - Top 100 Swiss Innovators
5+ mon, 3+ week ago (185+ words) Divea is a spin - off company from the Swiss Federal Institute of Technology in Lausanne (EPFL), co - founded by Karl Khalil, Mojtaba Chevalier, and Kumar Agrawal. Karl Khalil serves as the company's CEO; Mojtaba Chevalier is the company's CTO and…...
What's the Nobel - Prize - Winning MOF? Can It Extract Water from Air in Arid Regions?
5+ mon, 4+ week ago (935+ words) Not long ago, the winners of the 2025 Nobel Prize in Chemistry were announced. Three scientists who have made significant contributions to the development of Metal-Organic Frameworks (MOFs) - Susumu Kitagawa, Richard Robson, and Omar M. Yaghi - received this honor. Can the seemingly…...
Princeton University Researchers Propose MOFSeq - LMM with 97% Accuracy to Efficiently Predict MOF Synthesis
6+ mon, 1+ week ago (564+ words) A joint research team from Princeton University and the Colorado School of Mines has proposed an efficient prediction method based on machine learning. This method uses large language models to directly predict the free energy from the structural sequences of…...
Tsinghua University Overcomes "Phototoxicity" Issue, Pioneering Non-Intrusive Observation Era in In-Vivo Microscopy
6+ mon, 1+ week ago (765+ words) Cells are the basic units of life, and many of their functions and in vivo interactions between cells often last for dozens of hours, which are difficult to reproduce in an in vitro environment. Therefore, achieving high-fidelity, low-light toxicity three-dimensional…...
Producing hydrogen and extracting magnesium simultaneously from seawater electrolysis, the by-product revenue may exceed that of hydrogen itself.
6+ mon, 2+ week ago (310+ words) The project started from in - depth thinking about green electricity consumption and cost reduction of green hydrogen. The team found that the cost of traditional water electrolysis for hydrogen production remains high. If the abundant magnesium elements in seawater are…...