Results 91 to 100 of about 719,189 (158)

Ab initio simulation of the absorption spectrum of Ruby and the role of vibronic coupling. [PDF]

J Mol Model
Starke LD, Torres AD, Rocha AB.
europepmc   +1 more source

Ab Initio Binocular Formulation of Listing's Law. [PDF]

J Eye Mov Res
Turski J.
europepmc   +1 more source

A unified machine-learning framework for ab initio multiscale modeling of liquids. [PDF]

Proc Natl Acad Sci U S A
Bui AT, Cox SJ.
europepmc   +1 more source

General ab initio framework for electronic-order-induced lattice-dynamics symmetry breaking. [PDF]

Sci Adv
Zhang S, Wang M, Zhang P, Zhang T.
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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking. [PDF]

Nat Commun
Foster A, Schätzle Z, Szabó PB, Cheng L, Köhler J, Cassella G, Gao N, Li J, Noé F, Hermann J.   +9 more
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<i>Ab initio</i> study on photocatalytic properties of PtSSe-WXY Janus heterostructures. [PDF]

RSC Adv
Shastri SS, Cammarata A, Polcar T.
europepmc   +1 more source

Oxygen-Tolerant Ab Initio Emulsion ATRP Driven by Red or Near-Infrared Light. [PDF]

Macromolecules
Hu X, Liu K, Matyjaszewski K.
europepmc   +1 more source

<i>Ab Initio</i> Polariton Transport Dynamics with the Classical Path Approximation. [PDF]

Nano Lett
Chng BXK, Weight BM, Mondal ME, Huo P.
europepmc   +1 more source

Dissipation in the broadband and ultrastrong coupling regimes of cavity quantum electrodynamics: an ab initio quantized quasinormal mode approach. [PDF]

Light Sci Appl
Gustin C, Ren J, Franke S, Hughes S.
europepmc   +1 more source

Fine-tuning ab initio XANES spectra calculations using the Bayesian optimization algorithm. [PDF]

J Synchrotron Radiat
Sapronov AA, Doronkin DE, Grunwaldt JD.
europepmc   +1 more source