Search Results - "Pyzer-Knapp EO"

Synergetic properties of advanced materials for high-power and high-temperature applications.

Authors: Mengesha, Wubshet Getachew Nagessar, Kaveer

Source: Discover Nano; 4/10/2026, Vol. 21 Issue 1, p1-58, 58p

Development of a pKa predictor (pKaLearn) by leveraging teaching experience to improve machine learning.

Authors: Genzling, Jérôme Luo, Ziling Weiser, Benjamin et al.

Source: Communications Chemistry. 3/26/2026, Vol. 9 Issue 1, p1-12. 12p.

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Hessian QM9: A quantum chemistry database of molecular Hessians in implicit solvents.

Authors: Williams NJ Kabalan L Stojanovic L et al.

Source: Scientific data [Sci Data] 2025 Jan 03; Vol. 12 (1), pp. 9. Date of Electronic Publication: 2025 Jan 03.

Publication Type: Journal Article

Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101640192 Publication Model: Electronic Cited Medium: Internet ISSN: 2052-4463 (Electronic) Linking ISSN: 20524463 NLM ISO Abbreviation: Sci Data Subsets: MEDLINE; PubMed not MEDLINE

A Review on Data-Driven Constitutive Laws for Solids: A Review on Data-Driven Constitutive Laws for Solids: J. N. Fuhg et al.

Authors: Fuhg, Jan N. Anantha Padmanabha, Govinda Bouklas, Nikolaos et al.

Source: Archives of Computational Methods in Engineering; Apr2025, Vol. 32 Issue 3, p1841-1883, 43p

AI-driven design of multifunctional nanomaterials in revolutionizing high-temperature, high-power solutions for space technology: potentials, challenges and perspectives.

Authors: Mengesha, Wubshet Getachew¹, wubshet2003@gmail.com

Source: Discover Nano; 12/1/2025, Vol. 20 Issue 1, p1-34, 34p

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Electrocaloric property optimization of PMN-PT ceramics using predictive modeling.

Authors: Bayir, Mustafa Cagri Mensur, Ebru

Source: Journal of Materials Science: Materials in Electronics; Jun2025, Vol. 36 Issue 18, p1-15, 15p

Distributed computing in multi-agent systems: a survey of decentralized machine learning approaches.

Authors: Ahmed, Ijaz Syed, Miswar Akhtar Maaruf, Muhammad et al.

Source: Computing; Jan2025, Vol. 107 Issue 1, p1-57, 57p

Combining explainable machine learning, demographic and multi-omic data to inform precision medicine strategies for inflammatory bowel disease.

Authors: Gardiner LJ Carrieri AP Bingham K et al.

Source: PloS one [PLoS One] 2022 Feb 23; Vol. 17 (2), pp. e0263248. Date of Electronic Publication: 2022 Feb 23 (Print Publication: 2022).

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE

RGCVAE: relational graph conditioned variational autoencoder for molecule design.

Authors: Rigoni, Davide Navarin, Nicolò Sperduti, Alessandro

Source: Machine Learning; Feb2025, Vol. 114 Issue 2, p1-26, 26p

Artificial intelligence application and high-performance work systems in the manufacturing sector: a moderated-mediating model.

Authors: Zahoor, Sajjad Chaudhry, Iffat Sabir Yang, Shuili et al.

Source: Artificial Intelligence Review; Jan2025, Vol. 58 Issue 1, p1-28, 28p

A Novel Bromeliad Flower-Like Visible-Light Photocatalyst of CdS and Its Photocatalytic Activity for Industrial Dye Treatment Towards Environmental Remediation: Active Species, Mechanism, and Stability.

Authors: Perumal, K. Dhamodharan, A. Gao, Yajun

Source: Journal of Electronic Materials; Dec2024, Vol. 53 Issue 12, p7687-7698, 12p

Ontology-conformal recognition of materials entities using language models.

Authors: Potu, Sai Teja Niranjan Murthy, Rachana Thomas, Akhil et al.

Source: Scientific Reports. 5/28/2025, Vol. 15 Issue 1, p1-16. 16p.

Application of machine learning to model the pressure poisson equation for fluid flow on generic geometries.

Authors: Sousa, Paulo Afonso, Alexandre Veiga Rodrigues, Carlos

Source: Neural Computing & Applications; Sep2024, Vol. 36 Issue 26, p16581-16606, 26p

Boosting Li⁺ Diffusion in Lithium-Rich Oxides through Intrinsic Structural Design: Insights and Design Principles.

Authors: Xu, Lifeng Hong, Min Guo, Jingjing et al.

Source: Nano-Micro Letters. 3/6/2026, Vol. 18 Issue 1, p1-35. 35p.

Advancing biomolecular simulation through exascale HPC, AI and quantum computing.

Authors: Pyzer-Knapp EO Curioni A

Source: Current opinion in structural biology [Curr Opin Struct Biol] 2024 Aug; Vol. 87, pp. 102826. Date of Electronic Publication: 2024 May 10.

Publication Type: Journal Article; Review

Journal Info: Publisher: Elsevier Science Country of Publication: England NLM ID: 9107784 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-033X (Electronic) Linking ISSN: 0959440X NLM ISO Abbreviation: Curr Opin Struct Biol Subsets: MEDLINE

AGENTIC AI WORKFLOW FOR VIRTUAL SCREENING WITH DOCKING, ADMET FILTERING, AND HUMAN HIT TRIAGE.

Authors: Herrera, Luis Rojas, Daniela Castro, Andres

Source: Pharmacophore. 2026, Vol. 17 Issue 1, p81-90. 10p.

Decoding heterogeneous electrocatalysts for acidic oxygen evolution: mechanisms, rational design and AI acceleration.

Authors: Lin, Xingen Qu, Wenjia Wang, Zihan et al.

Source: National Science Review. Dec2025, Vol. 12 Issue 12, p1-26. 26p.

EcoCurrentNet an integrated DNN-CatBoost model for predicting optoelectronic material performance under varying conditions.

Authors: Xiaoying, Sun¹ (AUTHOR) alvy.sun@skku.edu

Source: Scientific Reports. 11/24/2025, Vol. 15 Issue 1, p1-23. 23p.