Recently, a joint research team developed a novel quantum-classical computing scheme for designing photochromic ...

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A new quantum-classical approach speeds up the discovery of photochromic materials. A joint research team has developed an ...

Deep generative models are rapidly becoming popular for the discovery of new molecules and materials. Such models learn on a large collection of molecular structures and produce novel compounds. In ...

Molecular Orbital Theory - Its important features, LCAOs, types of molecular orbitals (bonding ... theory of bi-molecular gaseous reactions (no derivation). Modern periodic law and present ...

The NAO2GTO scheme provides an efficient way to evaluate the electron repulsion integrals (ERIs) over numerical atomic orbitals (NAOs) with auxiliary Gaussian-type orbitals (GTOs). However, the ...

Feb. 12, 2025 — Scientists have uncovered the equipment that enables bacteria to survive exposure to antibiotics: a shuttling mechanism that helps a complex of proteins pump out a wide spectrum ...

Impact and progress Frontiers' impact Progress Report 2022 All progress reports ...

Light No Fire is the new project from No Man's Sky developer Hello Games. And this time, we are getting a fantasy outing instead of a sci-fi adventure. So far, the game promises to be about ...

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