Results 221 to 230 of about 8,521,646 (245)

Designing Elastic Softening Under Compression via Dipole-Dipole Interactions: The Case of Na₂TiSiO₅. [PDF]

Small
Zhang P, Muñoz A, Bura N, Botella P, Popescu C, Pellicer-Porres J, Dong X, Errandonea D.   +7 more
europepmc   +1 more source

Nitrogen-Rich 5,5'-Azotetrazolates: A Broad Spectrum of Technologically Accessible Gas-Generating Pyrotechnic Materials. [PDF]

ChemistryOpen
Votýpka A, Matyáš R, Mikuláštík J, Růžička A, Růžičková Z, Zigmund J, Labaj M, Adam M, Jalový Z.   +8 more
europepmc   +1 more source

An <i>ab initio</i> study and machine learning framework to capture the motional effects in solid-state NMR of lithium-ion conductors.

J Mater Chem A Mater
Zelin B, Poletayev AD, Davison E, Rees GJ, Payne BT, Bruce PG, Islam MS, Islam MS, Yates JR.   +8 more
europepmc   +1 more source

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Machine-learning interatomic potentials for materials science

Acta Materialia, 2021
Yuri Mishin
exaly  

Development of an interatomic potential for the Ni-Al system

Philosophical Magazine, 2009
Yuri Mishin
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Active learning of linearly parametrized interatomic potentials

Computational Materials Science, 2017
Evgeny V Podryabinkin, Alexander Shapeev
exaly  

An explicitly correlated coupled cluster calculation of the helium–helium interatomic potential

Journal of Chemical Physics, 1995
Wim Klopper, Jozef Noga
exaly