资讯

Australian researchers use a quantum computer to simulate how real molecules behave
When a molecule absorbs light, it undergoes a whirlwind of quantum-mechanical transformations. Electrons jump between energy ...
Interesting Engineering on MSN3 天
Scientists achieve world’s first real-time molecular reaction on quantum tech
Quantum tech breakthrough shows how real molecules react to light—opening doors to better drugs, solar cells, and more.
Computational chemistry unlocked: A record-breaking dataset to train AI models has launched
Open Molecules 2025, an unprecedented dataset of molecular simulations, has been released to the scientific community, paving ...
The Conversation3 天
Australian researchers use a quantum computer to simulate how real molecules behave
Our study, published this week in the Journal of the American Chemical Society, demonstrates we can also model ... of the molecules, we also used vibrations of the atoms in the computer called ...
AI Model Generates Realistic 3D Structures of Potential Drug Molecules
Researchers have introduced DiffSMol, a generative AI model capable of generating realistic 3D structures of small molecules ...
C&EN3 天
Researchers use electrochemistry to read data stored in molecules
Inspired by how DNA can pack massive quantities of information into tiny amounts of material, chemists have been working for ...
Science Daily5 天
Computer Science News
May 15, 2025 — Whether bismuth is part of a class of materials highly suitable for quantum computing and spintronics was a long-standing issue. Research has now revealed that the true nature of ...
New AI predicts how enzymes behave - eliminates the need for live cell experiments
Enzymes help digest food, clean laundry, make perfumes, and build medicines. They also break down toxins in the environment.