Results 91 to 100 of about 53,012 (158)

ASH: A Multi‐Scale, Multi‐Theory Modeling Program

open access: yesJournal of Computational Chemistry, Volume 47, Issue 8, 30 March 2026.
ASH is a Python‐based computational chemistry software for multi‐scale and multi‐theory computations (including QM/MM and ONIOM) and MD simulations. The program is designed for flexible workflows of molecular and biomolecular systems, allowing geometry optimizations, numerical frequencies, high‐level thermochemistry, MD and free‐energy simulations, NEB
Ragnar Bjornsson
wiley   +1 more source

Algebraic Multigrid Based Preconditioning Approaches for Generalized Continuum Models and Indirect Displacement Control Techniques

open access: yesInternational Journal for Numerical Methods in Engineering, Volume 127, Issue 6, 30 March 2026.
ABSTRACT The contribution deals with algebraic multigrid (AMG) based preconditioning methods for the iterative solution of a coupled linear system of equations arising in numerical simulations of failure of quasi‐brittle materials using generalized continuum approaches.
Nasser Alkmim   +4 more
wiley   +1 more source

Robust Adaptive Model Predictive Control for Tracking in Interconnected Systems via Distributed Optimization

open access: yesInternational Journal of Robust and Nonlinear Control, Volume 36, Issue 5, Page 2907-2926, 25 March 2026.
ABSTRACT This study presents a novel Distributed Robust Adaptive Model Predictive Control (DRAMPC) for tracking in multi‐agent systems. The framework is designed to work with dynamically coupled subsystems and limited communication, which is restricted to local neighborhoods.
Fabio Faliero   +2 more
wiley   +1 more source

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