Results 171 to 180 of about 8,976 (250)

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

Perceived socioeconomic vulnerability, but not objective poverty, is linked to interoception through perceived stress. [PDF]

Front Psychol
Franco-O'Byrne D, Ferdman JE, Huepe D.
europepmc   +1 more source

Holographic Mapping of Orbital Angular Momentum using a Terahertz Diffractive Optical Neural Network

Advanced Intelligent Discovery, EarlyView.
A compact six‐layer diffractive optical neural network enables direct recognition and spatial mapping of terahertz (THz) orbital angular momentum (OAM) beams. Fabricated by 3D printing, the system distinguishes nine OAM modes and their superpositions with high fidelity, good efficiency, and low crosstalk, offering a scalable solution for THz ...
Wei Jia, Miguel Gomez, Steve Blair, Berardi Sensale‐Rodriguez   +3 more
wiley   +1 more source

Mechanisms underlying the impact of environmental factors (physical, ecological, social) on infectious diseases. [PDF]

One Health Outlook
Wang M, Wan J, Chen Q, Zhou M, Ma X, Liu T, Sun Q, Liu J, Ge J, Liu T, Li W, Tao Y, Wang S, Liu T, Han B, Bai C.   +15 more
europepmc   +1 more source

AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes

Advanced Intelligent Discovery, EarlyView.
To address the low accuracy of enzyme optimal pH (pHopt) prediction, this study develops active site‐based pHopt (AS‐pHopt), a prediction model enhanced by active site information and pseudo‐label prediction. Integrating key structural and physicochemical features affecting enzyme pHopt, AS‐pHopt uses Evolutionary Scale Modeling (ESM)‐2 with active ...
Wenxiang Song, Xinmin Li, Hongbo Yu, Le Xiong, Guixia Liu, Weihua Li, Yun Tang   +6 more
wiley   +1 more source

Dental Caries Is Associated with Multidimensional Poverty: Evidence from Colombia. [PDF]

Healthcare (Basel)
Cortes-Cely MA, Hernandez-Florez LJ, Castro-Rios A, Pinilla-Roncancio M, Borges-Yañez SA.   +4 more
europepmc   +1 more source

Crystal Structure Prediction of Inorganic Materials: A Benchmark and Modern Evaluation

Advanced Intelligent Discovery, EarlyView.
Predicting a crystal’s structure from composition alone is a long‐standing challenge in materials discovery. The CSP180 benchmark of 180 inorganic crystals evaluates thirteen crystal structure prediction algorithms requiring no density functional theory (DFT) against DFT‐based baselines across twelve metrics.
Lai Wei, Sadman Sadeed Omee, Rongzhi Dong, Nihang Fu, Yuqi Song, Edirisuriya M. Dilanga Siriwardane, Meiling Xu, Ming Hu, Chris Wolverton, Jianjun Hu   +9 more
wiley   +1 more source

Assessing the impact of wildlife conservation areas on human well-being. [PDF]

PLoS One
Romanello D, Rakotohary HM, Rahariniaina MJE, Lewis RJ.   +3 more
europepmc   +1 more source

Integration of Liquid Handling Robotics, Turbidimetry, and Machine Learning Toward Inverse Design of Lower Critical Solution Temperature Polymer Formulations

Advanced Intelligent Systems, EarlyView.
An integrated OT‐2/plate reader platform automates LCST cloud point measurement of NIPAM‐co‐DMAEMA copolymers across high‐dimensional formulation spaces. Machine learning trained on the resulting high‐throughput datasets achieves R2 up to 0.96 and enables inverse design of polymer formulations to target transition temperatures with <1% error.
Lachlan Alexander, Vianna F. Jafari, Tanja Junkers   +2 more
wiley   +1 more source

Reconsidering the context in the relationship between material deprivation and self-rated health among older people in Italy. [PDF]

PLoS One
Misuraca R, Carella M.
europepmc   +1 more source