Results 181 to 190 of about 119,278 (296)

Machine Learning‐Assisted Second‐Order Perturbation Theory for Chemical Potential Correction Toward Hubbard U Determination

Advanced Intelligent Discovery, EarlyView.
In this work, the Doubao large language model (LLM) is involved in the formula derivation processes for Hubbard U determination regarding the second‐order perturbations of the chemical potential. The core ML tool is optimized for physical domain knowledge, which is not limited to parameter prediction but rather serves as an interactive physical theory ...
Mingzi Sun, Tong Wu, Baian Chen, Zikang Li, Qiuyang Lu, Lu Lu, Hon Ho Wong, Cheuk Hei Chan, Bolong Huang   +8 more
wiley   +1 more source

Observation of a mixed close-packed structure in superionic water. [PDF]

Nat Commun
Andriambariarijaona L, Stevenson MG, Bethkenhagen M, Lecherbourg L, Lefèvre F, Vinci T, Appel K, Baehtz C, Benuzzi-Mounaix A, Bergermann A, Bespalov D, Brambrink E, Cowan TE, Cunningham E, Descamps A, Cafiso SDD, Dyer G, Fletcher LB, French M, Frost M, Galtier E, Gleason AE, Glenzer SH, Glenn GD, Guarnelli Y, Hartley NJ, He Z, Herbert ML, Hernandez JA, Heuser B, Höppner H, Humphries OS, Husband R, Khaghani D, Konôpková Z, Kuhlke J, Garcia AL, Lee HJ, Lindqvist B, Lütgert J, Lynn W, Masruri M, May P, McBride EE, Nagler B, Nakatsutsumi M, Naedler JP, Ofori-Okai BK, Pandolfi S, Pelka A, Preston TR, Qu C, Randolph L, Ranjan D, Redmer R, Rips J, Schoenwaelder C, Schumacher S, Schuster AK, Schwinkendorf JP, Strohm C, Tang M, Toncian T, Voigt K, Vorberger J, Zastrau U, Kraus D, Ravasio A.   +67 more
europepmc   +1 more source

Toward Predictable Nanomedicine: Current Forecasting Frameworks for Nanoparticle–Biology Interactions

Advanced Intelligent Discovery, EarlyView.
Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova, Michael Nicholls, Nicola Russo, Gueorgui Mihaylov, Konstantin Nikolic   +4 more
wiley   +1 more source

Phase Engineering of Nanogold: Non-Close Packed Square Planes in A'B' Stacking with a 0.5 Å Channel. [PDF]

Adv Mater
Wang Y, Liu Z, Gianopoulos CG, Zhang W, Alfonso D, He G, Kirschbaum K, Zhou M, Jin R.   +8 more
europepmc   +1 more source

Unveiling the mechanisms of strength-ductility synergy in an additively manufactured nanolamellar high-entropy alloy. [PDF]

Nat Commun
Gao S, Ji W, Zhu Q, Jarlöv A, Bai X, Shen X, Liu Y, Nai MLS, Gao H, Zhou K.   +9 more
europepmc   +1 more source

Tunable fcc/hcp NiRu alloy nanoparticles anchored on hierarchical N-doped carbon nanosheets for enhanced hydrogen evolution. [PDF]

RSC Adv
Li Z, Hou M, Wang X, Song X, Song Z, Zhu S, Luo K, Wei K, Hu Y, Li T.   +9 more
europepmc   +1 more source

Boron-Doped NiCoCuMoMn High-Entropy Alloys for Enhanced Electrocatalytic Water Splitting: An Experimental and Computational Study. [PDF]

ACS Appl Energy Mater
Mahdavi H, Mansoor M, Ergen O, Ünal U, Jahangiri H.   +4 more
europepmc   +1 more source

Autonomous thermodynamically informed database generation for machine-learned interatomic potentials and application to magnesium. [PDF]

NPJ Comput Mater
Fletcher VG, Bartók AP, Pártay LB.
europepmc   +1 more source

Noninvasive Glucose Detection with Biodegradable Electrodes from Rice Starch Functionalized with a Carbon Quantum Dot/Nickel Oxide Nanocomposite

Analysis &Sensing, EarlyView.
The graphical abstract shows an eco‐friendly approach to fabricating a biodegradable electrochemical sensor. Carbon quantum dot/nickel oxide (CQD/NiO) nanocomposites are synthesized using Aloe arborescens leaf extract, which served as a natural reducing and stabilizing agent.
Nokwanda Ngema, Ryal Atson, Orlette Mkhari, Mahabubur Rahman Chowdhury   +3 more
wiley   +1 more source

Sequential Spinodal Decompositions and Ordering Reactions in an As-Quenched Cr₃₉Co₁₈Fe₁₈Ni₁₈Al₇ High-Entropy Alloy. [PDF]

Materials (Basel)
Korir RC, Kenedy GR, Cheng WC, Chen SH.
europepmc   +1 more source