Results 231 to 240 of about 189,131 (288)

Families of proper holomorphic maps. [PDF]

J Geom Anal
Drnovšek BD, Kališnik J.
europepmc   +1 more source

Benchmarking Large Language Models for Polymer Property Predictions

Macromolecular Rapid Communications, EarlyView.
Large language models (LLMs) are fine‐tuned on polymer thermal property datasets to directly predict glass transition, melting, and decomposition temperatures from SMILES inputs. Compared to state‐of‐the‐art models such as Polymer Genome, polyGNN, and polyBERT, LLMs achieve competitive yet lower accuracy.
Sonakshi Gupta, Akhlak Mahmood, Shivank Shukla, Rampi Ramprasad   +3 more
wiley   +1 more source

First Principles Rovibronic Absorption Spectra of HF Molecule. [PDF]

J Comput Chem
Abu El Kher N, Shibli M, Korek M, Yurchenko SN, Tennyson J, El-Kork N.   +5 more
europepmc   +1 more source

Structure‐Aware Machine Learning for Polymers: A Hierarchical Graph Network for Predicting Properties From Statistical Ensembles

Macromolecular Rapid Communications, EarlyView.
This work presents a structure‐aware graph convolutional network that models polymers as statistical ensembles to predict macroscopic properties. By combining topologically realistic graphs generated via kinetic Monte Carlo simulations with explicit molar mass distributions, the framework achieves high accuracy in classifying architectures and ...
Julian Kimmig, Yannik Köster, Timo Koswig, Punith Raviswamy, Subhash V. S. Ganti, Stefan Zechel, Christopher Kuenneth, Ulrich S. Schubert   +7 more
wiley   +1 more source

Highly efficient non-relativistic Edelstein effect in nodal p-wave magnets. [PDF]

Nat Commun
Chakraborty A, Birk Hellenes A, Jaeschke-Ubiergo R, Jungwirth T, Šmejkal L, Sinova J.   +5 more
europepmc   +1 more source

Differentiating Nonsuicidal Self‐Injury (NSSI) From Suicide Attempts in Adolescents: A Pilot Study

Medicine Bulletin, EarlyView.
ABSTRACT Background Differentiating between nonsuicidal self‐injury (NSSI) and suicide attempts (SA) in adolescents is crucial due to distinct underlying motivations, treatment needs, and potential outcomes associated with each behavior.
María Posada‐Ayala, Ping Wang, Gemma Barroso‐Garcia, Encarnación Donoso‐Navarro, Elena Hernandez‐Alvarez, María Gil‐Ligero, Julián Romero, Silvia Rosado‐Garcia, Antonio José Sánchez‐López, Hilario Blasco‐Fontecilla   +9 more
wiley   +1 more source

Approaches to Exceptional Points in the Framework of Non-Hermitian Random Matrices. [PDF]

Entropy (Basel)
Benisty H.
europepmc   +1 more source

High‐Throughput Screening of Rare‐Earth Compounds as Promising Deep‐Ultraviolet Light Emitters

Materials Genome Engineering Advances, EarlyView.
A high‐throughput screening of rare‐earth compounds is conducted to identify promising deep‐ultraviolet (DUV) light emitters. With carefully designed selection criteria, Na3LuBr6 and Na3TmBr6 are identified as promising candidates. This study accelerates the development of DUV light emitters.
Xun Xu, Hongzhen Zhong, Hanpu Liang, Baiqing Zhao, Jinshan Li, Xie Zhang   +5 more
wiley   +1 more source

Terahertz metasensor with pseudo parity time symmetry for oral cancer diagnostics. [PDF]

Sci Rep
Zaky ZA, Hennache A, Zhaketov VD.
europepmc   +1 more source

Accelerated Discovery of Multifunctional K0.5Na0.5NbO3‐Based Ceramics via Integrated High‐Throughput Computation and Machine Learning

Materials Genome Engineering Advances, EarlyView.
An integrated framework combining high‐throughput DFT calculations and machine learning accelerates the discovery of multifunctional KNN‐based ceramics. By designing novel features describing local dopant environments, the study accurately maps atomic‐scale structures to macroscopic properties, revealing critical design rules. ABSTRACT Potassium sodium
Yudong Shi, Ting Li, Xiangfu Zeng, Haoqing Huang, Rui Xiong, Baisheng Sa, Peng Lin, Cuilian Wen, Xiao Wu, Zhimei Sun   +9 more
wiley   +1 more source