Quantum computing and AI-driven molecular simulations could accelerate discovery and design of advanced materials for chemistry and life science applications.

A collaborative research team from Kanazawa University and Kyoto University reports the successful visualization of how densely assembled macrocyclic host molecules cooperatively capture guest ...

The Na+-NQR enzyme is vital for energy production in pathogenic bacteria like the one that causes cholera, making it a highly ...

Researchers at the CSIR-Centre for Cellular and Molecular Biology (CCMB) have revealed a key defence system in plants to ...

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Temperature adds another challenge. Standard DFT is essentially a zero-temperature approach, so thermal effects must be ...

New integration lets researchers create, edit, and run simulations through natural language, extending advanced computational chemistry to non-specialistsCAMBRIDGE, Mass. and TOKYO, May 27, 2026 ...

For his senior thesis project, Ben Levine ‘26 focused on an emerging class of disease treatments using computationally ...

“Crosslinking softens the interface between polymer types. Then the dynamic on-and-off of the links helps the two species ...

The protein p53 is often called the guardian of the genome for its central role in preventing cancer. Yet paradoxically, it ...