Results 21 to 30 of about 991,053 (256)
First-Principles Simulation—Nano-Theory
Crystals, 2021 First-principles (or ab initio) simulation is one of the most significant theoretical approaches to study and model systems at the atomistic level [...]
Paolo Restuccia
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Results in Physics, 2022 The double perovskite multiferroic materials Bi2FeCrO6 have a more remarkable improvement in magnetoelectricity, photovoltaic, and photocatalysis performance than BiFeO3.
Xing-Yuan Chen +8 more
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Counterfactual Causality from First Principles? [PDF]
Electronic Proceedings in Theoretical Computer Science, 2017 In this position paper we discuss three main shortcomings of existing approaches to counterfactual causality from the computer science perspective, and sketch lines of work to try and overcome these issues: (1) causality definitions should be driven by a
Gregor Gössler +2 more
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First-Principles View on Photoelectrochemistry: Water-Splitting as Case Study
Inorganics, 2017 Photoelectrochemistry is truly an interdisciplinary field; a natural nexus between chemistry and physics. In short, photoelectrochemistry can be divided into three sub-processes, namely (i) the creation of electron-hole pairs by light absorption; (ii ...
Anders Hellman, Baochang Wang
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Results in Physics, 2022 In this study, we investigated the structural, elastic, electronic, and thermodynamic properties of NbCoSn and VRhSn HH compounds using the first-principles calculations as implemented in the density functional theory (DFT).
Job W. Wafula +2 more
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Frontiers in Electronic Materials, 2022 High-performance thermoelectric (TE) materials rely on semiconductors with suitable intrinsic properties for which carrier concentrations can be controlled and optimized.
Ferdaushi Alam Bipasha +4 more
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First Principles, Fallibilism, and Economics [PDF]
SSRN Electronic Journal, 2017 In the eyes of its practitioners, economics is both a deductive science and an empirical science. The starting point of its deductions might be thought of as first principles. But what is the status of such principles? The tension between foundationalism, the idea that there are necessary and secure first principles for economic inquiry, and ...
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Lattice thermal conductivity of β-, α- and κ- Ga2O3: a first-principles computational study
Applied Physics Express, 2023 The thermal transport properties of Ga _2 O _3 in different phases remain inadequately explored. We employ first-principles calculations and the phonon Boltzmann equation to systematically study the lattice thermal conductivity of β -, α - and κ -Ga _2 O
Jinfeng Yang +5 more
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Agentic Finance: An Adaptive Inference Framework for Bounded-Rational Investing Agents
EntropyWe propose Adaptive Inference, a portfolio management framework extending Active Inference to non-stationary financial environments. The framework integrates inference, control, and execution under endogenous uncertainty, modeling investment decisions as
Samuel Montañez Jacquez +2 more
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The First Principles of Standing
Columbia Journal of Race and Law, 2018 This Article examines the indeterminacy of standing doctrine by deconstructing recent desegregation, affirmative action, and racial profiling cases.
Christian B. Sundquist
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