Results 121 to 130 of about 742 (173)

Spin-Orbit-Induced Nonadiabatic Dynamics: An Exact Ω Representation. [PDF]

J Chem Theory Comput
Brady RP, Yurchenko SN.
europepmc   +1 more source

Decoupling Formulation and Processing Effects in Thermoplastic Starch Through a Data‐Driven Structure–Property Framework

Polymer Engineering &Science, EarlyView.
Processing‐property relationships in thermoplastic starch (TPS): plasticizer type, starch source and melt‐processing temperature establish a hierarchy of effects that governs process‐induced changes and the resulting TPS properties. ABSTRACT Thermoplastic starch (TPS) is a melt‐processable biopolymer whose properties depend strongly on formulation and ...
Cristina Pavón, Nerea Martínez, Alexandra Llidó Barragán, Juan López‐Martínez   +3 more
wiley   +1 more source

A Variational Quantum Eigensolver Based on the Measurement Scheme Tailored to Multiband Tight-Binding Simulations. [PDF]

J Chem Theory Comput
Lee D, Ryu H.
europepmc   +1 more source

New views of some invariants associated with the Cartesian 2D velocity gradient tensor

Quarterly Journal of the Royal Meteorological Society, EarlyView.
Vorticity and divergence of horizontal flow are fundamental quantities in meteorology; both are linear functions of the four elements of the 2D velocity gradient tensor and both are formally unchanged under coordinate rotation. We explore four quadratic functions of the elements that are geometrically invariant in this sense, finding some novel ...
I. Roulstone, S. A. Clough, A. A. White
wiley   +1 more source

Exploring Hückel Molecular Orbital Energies through Variational and Phase Estimation Quantum Algorithms. [PDF]

J Phys Chem Lett
Han DB, Hu KM, Lim HT, Kim HW.
europepmc   +1 more source

Propagation of internal gravity waves: Optimal vertical discretisation and grid design based on numerical error analysis

Quarterly Journal of the Royal Meteorological Society, EarlyView.
An energy‐conserving discrete framework for the vertical discretisation of stratified ocean models is developed using internal gravity‐wave theory. A β$$ \beta $$‐indexed family of schemes is analysed through perturbation theory, revealing optimal parameter choices and grid designs that reduce truncation errors significantly.
Gabriel Derrida, Laurent Debreu, Florian Lemarié, Jérome Chanut   +3 more
wiley   +1 more source

Enhanced Sampling in the Age of Machine Learning: Algorithms and Applications. [PDF]

Chem Rev
Zhu K, Trizio E, Zhang J, Hu R, Jiang L, Hou T, Bonati L.   +6 more
europepmc   +1 more source

Matrix-Free Inexact Preconditioning Techniques for Isogeometric Tensor-Product Discretizations. [PDF]

J Sci Comput
Mika MŁ, Hiemstra RR, Schillinger D.
europepmc   +1 more source

Sliding Mode Control in Aerospace Applications: A Survey

International Journal of Robust and Nonlinear Control, EarlyView.
ABSTRACT Sliding mode control (SMC) enjoys robustness to matched and unmatched (in the case of minimum phase input‐output dynamics) bounded perturbations, and finite time convergence. Second‐order and higher‐order sliding mode control systems (2‐SMC/HOSMC) retain all the advantages of sliding mode control, but in addition can be applied to systems of ...
Yuri Shtessel, Christopher Edwards
wiley   +1 more source

Quantum AI in Speech Emotion Recognition. [PDF]

Entropy (Basel)
Norval M, Wang Z.
europepmc   +1 more source