chemistry
The science of soulmates: Is there someone out there exactly right for you?
The science of soulmates: Is there someone out there exactly right for you? On Valentine's Day, there's the temptation to believe that somewhere out there is The One: a soulmate, a perfect match, the person you were meant to be with. Across history, humans have always been drawn to the idea that love isn't random. In ancient Greece, Plato imagined that we were once whole beings with four arms, four legs and two faces, so radiant that Zeus split us in two; ever since, each half has roamed the earth searching for its missing other, a myth that gives the modern soulmate its poetic pedigree and the promise that somewhere, someone will finally make us feel complete. In the Middle Ages, troubadours and Arthurian tales recast that longing as courtly love, a fierce, often forbidden devotion like Lancelot's for Guinevere, in which a knight proved his worth through self-sacrifice for a beloved he might never openly declare.
- Europe > Greece (0.24)
- North America > Central America (0.14)
- Oceania > Australia (0.05)
- (13 more...)
Nobel prizewinner Omar Yaghi says his invention will change the world
Chemist Omar Yaghi invented materials called MOFs, a few grams of which have the surface area of a football field. In school, we learn about the Stone Age, the Bronze Age - and we are currently in a silicon age characterised by computers and phones. What might define the next age? Omar Yaghi at the University of California, Berkeley, thinks a family of materials he helped pioneer in the 1990s has a good shot. They are metal-organic frameworks (MOFs), and working out how to make them earned him a share of the 2025 Nobel prize in chemistry .
- North America > United States > California > Alameda County > Berkeley (0.24)
- North America > United States > Nevada (0.04)
Could 2026 be the year we start using quantum computers for chemistry?
Could 2026 be the year we start using quantum computers for chemistry? Whether quantum computers can actually solve practical problems is one of the biggest unanswered questions of this growing industry - and one that might be answered by researchers in industrial and medical chemistry in 2026. Calculating the structure, reactivity and other chemical properties of a molecule is an intrinsically quantum problem because it involves its electrons, which are quantum particles. But the more complex a molecule is, the harder these calculations become, in some cases posing a real challenge even for traditional supercomputers. On the other hand, because quantum computers are also intrinsically quantum, they should have an advantage when it comes to tackling these chemical calculations.
- Information Technology > Hardware (1.00)
- Information Technology > Communications > Social Media (1.00)
- Information Technology > Artificial Intelligence (0.95)
- Asia > China (0.04)
- North America > United States > Louisiana > Orleans Parish > New Orleans (0.04)
- North America > United States > California (0.04)
- Europe > Germany > Berlin (0.04)
Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials
Artificial intelligence for scientific discovery has recently generated significant interest within the machine learning and scientific communities, particularly in the domains of chemistry, biology, and material discovery. For these scientific problems, molecules serve as the fundamental building blocks, and machine learning has emerged as a highly effective and powerful tool for modeling their geometric structures. Nevertheless, due to the rapidly evolving process of the field and the knowledge gap between science ({\eg}, physics, chemistry, \& biology) and machine learning communities, a benchmarking study on geometrical representation for such data has not been conducted. To address such an issue, in this paper, we first provide a unified view of the current symmetry-informed geometric methods, classifying them into three main categories: invariance, equivariance with spherical frame basis, and equivariance with vector frame basis. Then we propose a platform, coined Geom3D, which enables benchmarking the effectiveness of geometric strategies. Geom3D contains 16 advanced symmetry-informed geometric representation models and 14 geometric pretraining methods over 52 diverse tasks, including small molecules, proteins, and crystalline materials. We hope that Geom3D can, on the one hand, eliminate barriers for machine learning researchers interested in exploring scientific problems; and, on the other hand, provide valuable guidance for researchers in computational chemistry, structural biology, and materials science, aiding in the informed selection of representation techniques for specific applications.
AI Is Getting Better at Science. OpenAI Is Testing How Far It Can Go
AI Is Getting Better at Science. Demis Hassabis founded DeepMind to "solve intelligence" and then use that to "solve everything else." Sam Altman promised that "the gains to quality of life from AI driving faster scientific progress will be enormous." Dario Amodei of Anthropic predicted that as soon as 2026, AI progress could produce a "country of geniuses in a data center." Of all the foundational myths driving the AI boom, the hope that AI might help humanity understand the universe is among the most enduring. FrontierScience, a new benchmark published Tuesday by OpenAI, suggests that AI models are advancing toward that goal--and highlights the difficulty of testing models' capabilities as they become ever more competitive with human scientists.
- North America > United States (0.05)
- Europe > France > Provence-Alpes-Côte d'Azur > Bouches-du-Rhône > Marseille (0.05)
Radboud chemists are working with companies and robots on the transition from oil-based to bio-based materials
Chemical products such as medicines, plastics, soap, and paint are still often based on fossil raw materials. This is not sustainable, so there is an urgent need for ways to make a'materials transition' to products made from bio-based raw materials. To achieve results more quickly and efficiently, researchers at Radboud University in the Big Chemistry programme are using robots and AI. The material transition from fossil-based to bio-based (where raw materials are based on materials of biological origin) is a major challenge. Raw materials for products must be replaced without changing the quality of those products.
- Europe > United Kingdom > England > Cambridgeshire > Cambridge (0.05)
- Europe > Netherlands > Gelderland > Nijmegen (0.05)
Prompting Science Report 4: Playing Pretend: Expert Personas Don't Improve Factual Accuracy
Basil, Savir, Shapiro, Ina, Shapiro, Dan, Mollick, Ethan, Mollick, Lilach, Meincke, Lennart
This is the fourth in a series of short reports that help business, education, and policy leaders understand the technical details of working with AI through rigorous testing. Here, we ask whether assigning personas to models improves performance on difficult objective multiple - choice questions. We study both domain - specific expert personas and low - knowledge personas, evaluating six models on GPQA Diamond (Rein et al. 2024) and MMLU - Pro (Wang et al. 2024), graduate - level questions spanning science, engineering, and law. We tested three approaches: In-Domain Experts: Assigning the model an expert persona ("you are a physics expert") matched to the problem type (physics problems) had no significant impact on performance (with the exception of the Gemini 2.0 Flash model). Off-Domain Experts (Domain-Mismatched): Assigning the model an expert persona ("you are a physics expert") not matched to the problem type (law problems) resulted in marginal differences. Low-Knowledge Personas: We assigned the model negative capability personas (layperson, young child, toddler), which were generally harmful to benchmark accuracy. Across both benchmarks, persona prompts generally did not improve accuracy relative to a no-persona baseline. Expert personas showed no consistent benefit across models, with few exceptions.
- Research Report > New Finding (1.00)
- Research Report > Experimental Study (0.82)
- Health & Medicine (0.66)
- Education (0.48)
The Download: the future of AlphaFold, and chatbot privacy concerns
In 2017, fresh off a PhD on theoretical chemistry, John Jumper heard rumors that Google DeepMind had moved on from game-playing AI to a secret project to predict the structures of proteins. He applied for a job. Just three years later, Jumper and CEO Demis Hassabis had led the development of an AI system called AlphaFold 2 that was able to predict the structures of proteins to within the width of an atom, matching lab-level accuracy, and doing it many times faster--returning results in hours instead of months. Last year, Jumper and Hassabis shared a Nobel Prize in chemistry. Now that the hype has died down, what impact has AlphaFold really had? How are scientists using it?
- Asia > China (0.06)
- North America > United States > Massachusetts (0.05)
- Europe > Middle East > Republic of Türkiye > Istanbul Province > Istanbul (0.05)
- (2 more...)
- Information Technology > Security & Privacy (0.51)
- Media (0.49)
- Government > Regional Government > North America Government > United States Government (0.30)
Developing an AI Course for Synthetic Chemistry Students
Artificial intelligence (AI) and data science are transforming chemical research, yet few formal courses are tailored to synthetic and experimental chemists, who often face steep entry barriers due to limited coding experience and lack of chemistry-specific examples. We present the design and implementation of AI4CHEM, an introductory data-driven chem-istry course created for students on the synthetic chemistry track with no prior programming background. The curricu-lum emphasizes chemical context over abstract algorithms, using an accessible web-based platform to ensure zero-install machine learning (ML) workflow development practice and in-class active learning. Assessment combines code-guided homework, literature-based mini-reviews, and collaborative projects in which students build AI-assisted workflows for real experimental problems. Learning gains include increased confidence with Python, molecular property prediction, reaction optimization, and data mining, and improved skills in evaluating AI tools in chemistry. All course materials are openly available, offering a discipline-specific, beginner-accessible framework for integrating AI into synthetic chemistry training.
- North America > United States > Missouri > St. Louis County > St. Louis (0.40)
- Oceania > Australia > New South Wales > Sydney (0.04)
- Europe > Spain > Aragón (0.04)
- Europe > Denmark (0.04)
- Research Report (1.00)
- Instructional Material > Course Syllabus & Notes (1.00)
- Materials > Chemicals (1.00)
- Education > Curriculum > Subject-Specific Education (0.83)
- Education > Educational Setting > Higher Education (0.68)