Results 241 to 250 of about 6,694,171 (343)

Toward efficient quantum computation of molecular ground‐state energies

open access: yesAIChE Journal, EarlyView.
Abstract Variational quantum eigensolvers (VQEs) represent a promising approach to computing molecular ground states and energies on modern quantum computers. These approaches use a classical computer to optimize the parameters of a trial wave function, while the quantum computer simulates the energy by preparing and measuring a set of bitstring ...
Farshud Sorourifar   +8 more
wiley   +1 more source

What to Make and How to Make It: Combining Machine Learning and Statistical Learning to Design New Materials

open access: yesAdvanced Intelligent Discovery, EarlyView.
Combining machine learning and probabilistic statistical learning is a powerful way to discover and design new materials. A variety of machine learning approaches can be used to identify promising candidates for target applications, and causal inference can help identify potential ways to make them a reality.
Jonathan Y. C. Ting, Amanda S. Barnard
wiley   +1 more source

Large Language Model in Materials Science: Roles, Challenges, and Strategic Outlook

open access: yesAdvanced Intelligent Discovery, EarlyView.
Large language models (LLMs) are reshaping materials science. Acting as Oracle, Surrogate, Quant, and Arbiter, they now extract knowledge, predict properties, gauge risk, and steer decisions within a traceable loop. Overcoming data heterogeneity, hallucinations, and poor interpretability demands domain‐adapted models, cross‐modal data standards, and ...
Jinglan Zhang   +4 more
wiley   +1 more source

R‐APEX: A Knowledge Graph–Based Platform for the Elucidation of the Toxicological Mechanisms of Ambient Particulate Matter

open access: yesAdvanced Intelligent Systems, EarlyView.
R‐APEX is a knowledge graph platform developed to investigate how air pollutants such as particularly fine particulate matter (PM2.5) affect human health. By integrating large‐scale biomedical data and using machine learning, it reveals pollutant–gene–disease associations.
Zhixing Zhu   +7 more
wiley   +1 more source

Design and validation of a rapid visual processing measure for screening reading difficulties in early childhood. [PDF]

open access: yesBehav Res Methods
Ramamurthy M   +9 more
europepmc   +1 more source

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