Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization ...

Instead, the authors calculated 'natural' molecular orbitals that retain the simple model, but have non-integer ... The advent of quantum mechanics, with its probabilistic wavefunctions that ...

Quickly screen large amounts of possible materials for specific properties and select promising candidates for deeper ...

In a new paper published in The Journal of Chemical Theory and Computation, researchers from IBM Quantum and Lockheed Martin ...

Quantum computing technology utilizes the power of quantum mechanics. Unlike binary bits ... on a low-cost “tasting menu” type of model. Amazon’s foray into semiconductors was unveiled ...

announced the development of a groundbreaking nonlinear quantum optimization algorithm based on efficient model encoding technology. This algorithm significantly enhances computational efficiency ...