Results 161 to 170 of about 1,731 (272)

A link between the steepest descent method and fixed-point iterations. [PDF]

Optim Lett, 2023
Heid P.
europepmc   +1 more source

Calculation of Vibrational Circular Dichroism Spectra Employing Nuclear Velocity Perturbation or Magnetic Field Perturbation Theory Using an Atomic-Orbital-Based Linear Response Approach. [PDF]

J Phys Chem A
Kumar R, Luber S.
europepmc   +1 more source

Effects of Improved Tidal Mixing in NEMO One‐Degree Global Ocean Model

Journal of Advances in Modeling Earth Systems, Volume 18, Issue 2, February 2026.
Abstract Diapycnal mixing in the ocean interior has diverse numerical representations in current global ocean models. These representations affect the simulated transport and storage of oceanic tracers in ways that remain little studied. Here we present the impacts of three different tidal mixing representations in thousand‐year‐long simulations with ...
Casimir de Lavergne, Saurabh Rathore, Gurvan Madec, Jean‐Baptiste Sallée, Christian Ethé, Antoine Nasser, Bruno Millet, Martin Vancoppenolle   +7 more
wiley   +1 more source

Algorithmic differentiation for plane-wave DFT: materials design, error control and learning model parameters. [PDF]

NPJ Comput Mater
Schmitz NF, Ploumhans B, Herbst MF.
europepmc   +1 more source

Lithospheric Delamination Below the North American Midcontinent Ceased Subsidence in Cratonic Basins

AGU Advances, Volume 7, Issue 1, February 2026.
Abstract Cratonic lithospheres carry a long history of tectonic modifications that result in heterogeneous structures, as revealed by an increasing number of geophysical observations. The existence of cratonic basins indicates protracted periods of tectonic modification, causing subsidence within global continental interiors.
Xiaotao Yang, Lihang Peng, Andrea Stevens Goddard, Lijun Liu   +3 more
wiley   +1 more source

Mass-zero constrained molecular dynamics for electrostatic interactions. [PDF]

J Chem Phys
Troni F, Grassano D, Narayan J, Roux B, Bonella S.   +4 more
europepmc   +1 more source

Scalable Resilience Against Node Failures for Communication-Hiding Preconditioned Conjugate Gradient and Conjugate Residual Methods

, 2019
Markus Levonyak, Christina Pacher, Wilfried N. Gansterer   +2 more
openalex   +1 more source

Local‐Hybrid Functional With a Composite Local Mixing Function Built From a Neural Network and a Strong‐Correlation Model

Journal of Computational Chemistry, Volume 47, Issue 3, 30 January 2026.
A new local hybrid functional, LH25nP, is reported, that uses a neural‐network local mixing function for the position‐dependence of exact‐exchange admixture trained with a human‐designed strong‐correlation factor. It thereby escapes the usual zero‐sum game between delocalization and static‐correlation errors.
Artur Wodyński, Martin Kaupp
wiley   +1 more source

Computational Fluid Dynamics of the Flow of the Deformable Toroidal Embolic Agents Within Straight and Stenotic Pipes by Full Eulerian FSI Method. [PDF]

Int J Numer Method Biomed Eng
Matsumiya K, Sugiyama K, Inagaki NF, Takagi S, Ito T.   +4 more
europepmc   +1 more source

A partial preconditioned conjugate gradient method for large eigenproblems

, 1987
Manolis Papadrakakis, Michalis Yakoumidakis   +1 more
openalex   +1 more source