Results 121 to 130 of about 441 (217)

Sparse implicitization by interpolation: Geometric computations using matrix representations

open access: yes, 2014
Based on the computation of a superset of the implicit support, implicitization of a parametrically given (hyper)surface is reduced to computing the nullspace of a numeric matrix. Our approach exploits the sparseness of the given parametric equations and
Ioannis Z. Emiris   +2 more
core  

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

open access: yesAdvanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue   +6 more
wiley   +1 more source

Projektionen tropischer Varietäten und eine Anwendung auf kurze tropische Basen

open access: yes, 2010
Tropical geometry is the geometry of the tropical semiring \[\mathbb{T}:=(\mathbb{R}\cup\{\infty\},\min,+).\] Classical algebraic structures correspond to tropical structures. If $I\lhd K[x_1,\ldots,x_n]$ is an ideal in a polynomial ring over a field $K$
Hept, Kerstin
core  

High‐Throughput Screening and Interpretable Machine Learning for Rational Design of Bimetallic Catalysts for Methane Activation

open access: yesAdvanced Science, EarlyView.
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan   +8 more
wiley   +1 more source

Reconfigurable Inflatables Through Controlled Surface Crumpling

open access: yesAdvanced Science, EarlyView.
ABSTRACT Inflatable structures offer remarkable versatility due to their compact storage and rapid deployment, making them ideal for lightweight, quickly assembled, and deployable applications. These structures are typically made from membranes that are nearly inextensible yet highly flexible.
Yi Yang   +8 more
wiley   +1 more source

The implicitization problem for φ{symbol} : Pn (P1)n + 1

open access: yes, 2009
We develop in this paper methods for studying the implicitization problem for a rational map φ{symbol} : Pn (P1)n + 1 defining a hypersurface in (P1)n + 1, based on computing the determinant of a graded strand of a Koszul complex.
Botbol, N.
core  

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

open access: yesAdvanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin   +11 more
wiley   +1 more source

Examples Of Implicitization Of Hypersurfaces Through Syzygies

open access: yes, 2015
Let X be a smooth projective toric variety of dimension n [-] 1 and let [phi] : X [-][RIGHTWARDS ARROW] Pn be a generically finite rational map. The closed image Y can be defined by a single equation P(x), called the implicit equation.
Zlatev, Radoslav
core  

Data‐Driven Modeling of Composition–Processing–Microstructure Relations for Recycled Aluminum Cast Alloys

open access: yesAdvanced Science, EarlyView.
Interpretable machine learning reveals how composition and processing govern the formation and microstructural burden of Fe‐rich intermetallic compounds in recycled Al–Si–Fe–Mn alloys. By separating morphology selection from morphology‐conditioned burden partitioning, this framework shows that identical Fe contents can yield different intermetallic ...
Jaemin Wang   +2 more
wiley   +1 more source

Physics‐Informed Machine Learning for Sustainable Alloy Design: Toward a Recyclable Unified Q&P Steel

open access: yesAdvanced Science, EarlyView.
A physics‐informed property‐bridging framework links high‐throughput hardness screening to tensile performance in quenching and partitioning steels. By transferring metallurgically guided representations across properties, a single alloy composition is designed to achieve multiple strength grades through heat‐treatment tuning alone, offering a ...
Xiaolu Wei   +7 more
wiley   +1 more source

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