Results 231 to 240 of about 102,050 (305)

Generative AI‐Driven Accelerated Discovery of Passivation Molecules for Perovskite Solar Cells

Advanced Science, EarlyView.
A generative artificial intelligence (AI) framework combining a discriminative machine learning model (SMILES‐X) and a generative language model (GPT‐2) autonomously discovers new molecular passivators for perovskite solar cells (PSCs). Through an iterative design loop, over 100 000 candidates are generated and screened, and randomly selected molecules
Adroit T. N. Fajar, Guillaume Lambard, Jessie Manopo, Ruili Guo, Kevin Septioga, Rizfi F. Pari, Toshinori Matsushima, Zhanglin Guo   +7 more
wiley   +1 more source

Development and implementation of a unified curriculum in math, statistics, computing, and informatics with financial considerations for medical physics graduate programs. [PDF]

J Appl Clin Med Phys
Chang J, Vaccarelli MJ.
europepmc   +1 more source

Hydrogen (H2) Recovery From Hydrogen Sulfide (H2S): Current Technologies, Challenges, and Future Outlook

Advanced Science, EarlyView.
ABSTRACT Hydrogen sulfide (H2S) can be transformed into hydrogen (H2) through several chemical and catalytic processes, offering a promising route for both waste treatment and clean H2 production. This colorless, flammable, and toxic gas is found abundantly in swamps, volcanoes, hot springs, sewages, other natural gas fields, and even in refineries and
Divyesh Cirikonda, Astrid Campos‐Mata, Sehmus Ozden, Shreyasi Chattopadhyay, Pulickel M. Ajayan   +4 more
wiley   +1 more source

Research on Multiscale Characterization and Computational Modeling/Simulation of Metallic Materials. [PDF]

Materials (Basel)
Wang R, Li J.
europepmc   +1 more source

ESCRT‐Mimetic Nanodegrader Targets STING for Anti‐Inflammatory Therapy

Advanced Science, EarlyView.
A nanoplatform‐enabled targeted protein degradation strategy is presented to regulate aberrant STING signaling. STING‐ATTEC induces selective autophagic degradation of STING via formation of a STING–ATTEC–LC3 ternary complex, while the cationic FA‐LNP+ system enhances LC3 generation and targeted delivery. Together, this synergistic approach efficiently
Fuyuan Zhou, Qiming Zhai, Zhihao Yao, Qing Li, Yan Yang, Si Wang, Chao Huang, Liangjing Xin, Tao Chen, Jinlin Song   +9 more
wiley   +1 more source

How to Use Quantum Computers for Biomolecular Free Energies. [PDF]

J Chem Theory Comput
Günther J, Weymuth T, Bensberg M, Witteveen F, Teynor MS, Thomasen FE, Sora V, Bro-Jørgensen W, Husistein RT, Erakovic M, Miller M, Weisburn L, Cho M, Eckhoff M, Harrow AW, Krogh A, Van Voorhis T, Lindorff-Larsen K, Solomon G, Reiher M, Christandl M.   +20 more
europepmc   +1 more source

Cross‐Modal Denoising and Integration of Spatial Multi‐Omics Data with CANDIES

Advanced Science, EarlyView.
In this paper, we introduce CANDIES, which leverages a conditional diffusion model and contrastive learning to effectively denoise and integrate spatial multi‐omics data. We conduct extensive evaluations on diverse synthetic and real datasets, CANDIES shows superior performance on various downstream tasks, including denoising, spatial domain ...
Ye Liu, Wanpeng Zou, Yuekai Li, Jiayi Wang, Mingxuan Cai, Hongmin Cai   +5 more
wiley   +1 more source

Editorial: Unraveling information encoding and representation in memory formation and learning. [PDF]

Front Comput Neurosci
Montani F.
europepmc   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

Design of Single‐Atom Nanozymes for Precision Treatment of Erectile Dysfunction with Integrated Single‐Cell RNA Sequencing and Machine Learning

Advanced Science, EarlyView.
It is innovatively utilized single‐cell RNA sequencing to explore the underlying causes of diabetes mellitus‐induced erectile dysfunction, followed by machine learning‐driven design of a single‐atom nanozyme (Fe‐DMOF) for precision treatment of erectile dysfunction.
Xiang Zhou, Xi Zhang, Sihan Chen, Mengchi Yu, Yilan Hu, Chi Gan, Xianghu Meng, Long Li, Ninghong Song   +8 more
wiley   +1 more source