Results 141 to 150 of about 16,374 (240)

Smart Exploration of Perovskite Photovoltaics: From AI Driven Discovery to Autonomous Laboratories

open access: yesAdvanced Energy Materials, EarlyView.
In this review, we summarize the fundamentals of AI in automated materials science, and review AI applications in perovskite solar cells. Then, we sum up recent progress in AI‐guided manufacturing optimization, and highlight AI‐driven high‐throughput and autonomous laboratories.
Wenning Chen   +4 more
wiley   +1 more source

Innovations in Gastric Cancer Surgery During Early Minimally Invasive Era and Future Perspectives

open access: yesAnnals of Gastroenterological Surgery, EarlyView.
With continuing revelations in tumor biology and the emergence of artificial intelligence, new horizons for surgical innovation are opening. At the center of this transformative journey stands the innovative surgeon, driven by passion, guided by data, and steadfast in the commitment to patient safety and quality of life.
Reut El‐On, Young‐Woo Kim
wiley   +1 more source

Challenges and enablers in fluidization technology

open access: yesAIChE Journal, EarlyView.
Abstract Gas–solid fluidized beds provide excellent heat and mass transfer for high‐throughput operations from coating to catalytic conversion and underpin emerging low‐carbon technologies. Yet industrial reliability, scale‐up, and control lag scientific understanding, particularly as finer, stickier, and more variable feedstocks increasingly challenge
J. Ruud van Ommen, Jia Wei Chew
wiley   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

open access: yesAIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim   +2 more
wiley   +1 more source

Identification of potent high-affinity secondary nucleation inhibitors of Aβ42 aggregation from an ultra-large chemical library using deep docking. [PDF]

open access: yesMol Syst Biol
Brezinova M   +8 more
europepmc   +1 more source

Universally Accurate or Specifically Inadequate? Stress‐Testing General Purpose Machine Learning Interatomic Potentials

open access: yesAdvanced Intelligent Discovery, EarlyView.
We investigate MACE‐MP‐0 and M3GNet, two general‐purpose machine learning potentials, in materials discovery and find that both generally yield reliable predictions. At the same time, both potentials show a bias towards overstabilizing high energy metastable states. We deduce a metric to quantify when these potentials are safe to use.
Konstantin S. Jakob   +2 more
wiley   +1 more source

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