New research led by the University of Liverpool in collaboration with the University of New South Wales (Sydney, Australia) ...

Twisted materials—known as moiré structures—have revolutionized modern physics, emerging as today's "alchemy" by creating ...

In computational chemistry, these scientists use computer simulations and modeling techniques to predict chemical behaviors and design new materials. Chemists and materials scientists are most ...

Lawrence Livermore National Laboratory (LLNL) is expanding its deployment of Anthropic's Claude for Enterprise to its entire ...

When quantum computers become powerful enough to break current encryption protocols, long-term data security and ...

Chemistry falls under the umbrella of natural sciences, alongside other fields like biology, geology and physics. Chemistry ...

This limitation makes it impossible to simulate the dynamical deformation of materials on long time scales encountered in experiments, i.e., for deformation rates lower than ~10 to 100 gigahertz.

Advanced Computational Materials Science ~Innovation of Materials Development by Digital Twin~／CRDS-FY2023-SP-02. Executive Summary. In this proposal, we show that the construction and utilization of ...

Tyrel McQueen, professor of materials science and engineering at Johns Hopkins University; Maren Roman, ... npj Computational Materials, 2025; 11 (1) DOI: 10.1038/s41524-025-01600-x; ...

MAT_SCI 458: Computational Materials Science VIEW ALL COURSE TIMES AND SESSIONS Prerequisites MSE 401 and 405, or equivalent background in quantum mechanics, thermodynamics, and general materials ...

The number of scientific papers that rely on AI has quadrupled, and the scope of problems AI can tackle is expanding by the ...

With a catalog of over 12 million commercially available starting materials and building blocks, SYNTHIA™ allows scientists to quickly discover novel pathways for new and published target molecules.