Results 221 to 230 of about 1,575,498 (276)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

Advanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Global temperature anomaly prediction by using additive twin LSTM networks. [PDF]

Sci Rep
Keles C, Baran B, Alagoz BB.
europepmc   +1 more source

In‐Situ Solution Complexation for n‐Type Surface‐Energetics Reconstruction in 2.0 eV Ultra‐Wide‐Bandgap Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
A reactive in situ solution complexation strategy reconstructs the surface of 2.0 eV ultra‐wide‐bandgap perovskites via proton transfer. This chemical modulation eliminates metallic defects and induces a degenerate‐like n‐type surface, establishing an Ohmic tunneling contact.
Saemon Yoon, Han‐Gyun Lim, Jinyoung Kim, Gyu Min Kim, Seojun Lee, Jun Ryu, SungWon Cho, Jincheol Kim, Hyosung Choi, Jung Sang Cho, Jongsung Park, Dong‐Won Kang   +11 more
wiley   +1 more source

Accountable Care Organization Efficiency on Entry and Shared Savings Bonuses.

JAMA Netw Open
Srivastava A, Shay A, Kaufman SR, Liu X, Maganty A, Oerline MK, Guro PA, Hill D, Dall C, Faraj KS, Ying M, Shahinian VB, Hollenbeck BK.   +12 more
europepmc   +1 more source

CARDBiomedBench: a benchmark for evaluating the performance of large language models in biomedical research. [PDF]

Lancet Digit Health
Bianchi O, Willey M, Alvarado CX, Danek B, Khani M, Kuznetsov N, Dadu A, Shah S, Koretsky MJ, Makarious MB, Weller C, Levine KS, Kim S, Jarreau P, Vitale D, Marsan E, Iwaki H, Leonard H, Bandres-Ciga S, Singleton AB, Nalls MA, Mokhtari S, Khashabi D, Faghri F.   +23 more
europepmc   +1 more source

Auxeticity‐by‐Assembly: Interlocking Modular Auxetic Metamaterials with Selectively Activatable AgNW–Graphene Oxide‐EGaIn Composite Interconnects for Scalable Freeform Photovoltaic Modules

Advanced Functional Materials, EarlyView.
Auxeticity‑by‑Assembly converts freeform photovoltaics from cut‑defined layouts to assembly‑defined systems. Standardized interlocking units generate negative‑Poisson‑ratio, reconfigurable architectures, while hinge regions are wired by selectively activatable AgNW–GO@EGaIn composite interconnects and a folding‑enabled interconnector layer. A decimeter‑
Seok Joon Hwang, Jiwon Ryu, Dae‐Hee Cho, YoungHoi Cho, Yewon Hwang, Haram Lee, Dong Hoe Kim, Byeong‐Kwon Ju, Seok Chung, Deokjae Choi, Gee Yeong Kim, Heesuk Jung, Taehee Kim, Hyeonggeun Yu, Gabseok Seo, Phillip Lee   +15 more
wiley   +1 more source

Addressing model overcomplexity in drug-drug interaction prediction with molecular fingerprints. [PDF]

J Cheminform
Gil-Sorribes M, Molina A.
europepmc   +1 more source

Optoelectronic Control of Redox Dynamics in POM Memristors for Noise‐Resilient Speech and Hardware‐Level Motion Recognition

Advanced Functional Materials, EarlyView.
Optoelectronic control of redox‐active polyoxometalate clusters in polymer matrices yields hybrid memristors with switchable volatile and non‐volatile modes, enabling reservoir‐type in‐sensor optical preprocessing and stable multilevel synapses for multimodal neuromorphic computing, including noise‐tolerant audiovisual keyword recognition and hardware ...
Xiangyu Ma, Ziyu Lv, Guohua Zhang, Zhongyue Xu, Yongbiao Zhai, Haiming Huang, Qiyan Zhang, Xiaojin Zhao, Yan Wang, Ye Zhou, Ziyu Xiong, Guanglong Ding, Wentao Xu, Su‐Ting Han   +13 more
wiley   +1 more source