Discover more insights into Principles Modeling

Keywords frequently search together with Principles Modeling

Narrow sentence examples with built-in keyword filters

Principles Modeling sentence examples within density functional theory



Doping of gallium oxide and aluminum gallium oxide alloys



Oxygen vacancy mediated cubic phase stabilization at room temperature in pure nano-crystalline zirconia films: a combined experimental and first-principles based investigation.


Principles Modeling sentence examples within First Principles Modeling



First Principles, Explicit Interface Studies of Oxygen Vacancy and Chloride in Alumina Films for Corrosion Applications



Experimental evaluation of HTPB/paraffin fuel blends for hybrid rocket applications


More Principles Modeling sentence examples
10.1007/978-3-030-68310-8_8

Machine Learning Accelerated Insights of Perovskite Materials


More Principles Modeling sentence examples
10.1109/ICAACCA51523.2021.9465250

LQR and PID Control Design for a Pneumatic Diaphragm Valve


More Principles Modeling sentence examples
10.1103/physrevmaterials.5.084601

Atomistic structure and three-dimensional spatial distribution of oxide clusters along voids in nitride metal/semiconductor superlattices



Estimating computational limits on theoretical descriptions of biological cells


More Principles Modeling sentence examples
10.1186/s11671-021-03595-y

Unveiling the Atomic and Electronic Structure of Stacked-Cup Carbon Nanofibers


More Principles Modeling sentence examples
10.1109/ICRA48506.2021.9560869

Active Model Learning using Informative Trajectories for Improved Closed-Loop Control on Real Robots



Reducing high carrier concentration in rocksalt-AlxSc1-xN with Mg acceptor doping



Electronic, thermal, and structural properties of zinc gallate from first-principles calculations


More Principles Modeling sentence examples
10.1103/physrevmaterials.5.085403

Computational study of Li3BO3 and Li3BN2 II: Stability analysis of pure phases and of model interfaces with Li anodes



Quantitative Point-of-Care Colorimetric Assay Modeling Using a Handheld Colorimeter


More Principles Modeling sentence examples
10.1080/08927022.2021.1941943

Effect of vacancy defects on the thermal transport of β-Ga2O3



Feshbach-Fano approach for calculation of Auger decay rates using equation-of-motion coupled-cluster wave functions. I. Theory and implementation.


More Principles Modeling sentence examples
10.1016/J.APSUSC.2021.150650

First-principles prediction of NO2 and SO2 adsorption on MgO/(Mg0.5Ni0.5)O/MgO(1 0 0)


More Principles Modeling sentence examples
10.1109/ACCESS.2021.3055353

Incorporating Unmodeled Dynamics Into First-Principles Models Through Machine Learning


More Principles Modeling sentence examples
10.1021/acs.inorgchem.0c03596

Regulating Guanidinium-Based Hybrid Materials for Ultraviolet Nonlinear Optical Applications by Hybrid Strength and Hybrid Pattern.


More Principles Modeling sentence examples
10.1016/J.ACTAMAT.2021.117128

Complexions and grain growth retardation: First-principles modeling of phase boundaries in WC-Co cemented carbides at elevated temperatures


More Principles Modeling sentence examples
10.1103/PhysRevB.104.035428

Impact of dimensional crossover on phonon transport in van der Waals materials: A case study of graphite and graphene



Mechanism of Electron-Beam Manipulation of Single-Dopant Atoms in Silicon


More Principles Modeling sentence examples
10.1109/ITSC.2019.8917174

Neural-Attention-Based Deep Learning Architectures for Modeling Traffic Dynamics on Lane Graphs


More Principles Modeling sentence examples
10.1146/annurev-anchem-061318-114929

Solving the Structure and Dynamics of Metal Nanoparticles by Combining X-Ray Absorption Fine Structure Spectroscopy and Atomistic Structure Simulations.


More Principles Modeling sentence examples
10.1103/PhysRevX.10.021013

Light-Driven Raman Coherence as a Non-Thermal Route to Ultrafast Topology Switching



Modeling Electron Injection at Semiconductor–Molecule Interfaces using First-Principles Dynamics Simulation: Effects of Nonadiabatic Coupling, Self-energy, and Surface Models


More Principles Modeling sentence examples
10.1021/acs.molpharmaceut.8b01272

Data Analytics Approach for Rational Design of Nanomedicines with Programmable Drug Release.


More Principles Modeling sentence examples
10.1103/PhysRevB.100.075201

Unusual thermoelectric transport anisotropy in quasi-two-dimensional rhombohedral GeTe


More Principles Modeling sentence examples
10.1016/J.JMMM.2018.11.112

Alloy disorder and fluctuating magnetic moments in the Earth’s core



Cluster expansion based configurational averaging approach to bandgaps of semiconductor alloys.



Correlation Between Reactivity and Oxidation State of Cobalt Oxide Catalysts for CO Preferential Oxidation


More Principles Modeling sentence examples
10.1103/PHYSREVB.99.035424

Predicting ultrafast Dirac transport channel at the one-dimensional interface of the two-dimensional coplanar ZnO/MoS2 heterostructure



First-Principles Modeling of Atomic Structure and Chemical and Optical Properties of β-C3N4


More Principles Modeling sentence examples
10.1109/SISPAD.2019.8870567

Effect of Trap on Carrier Transport in InAs FET with Al2 O3 Oxide: DFT-based NEGF simulations



XANES, EXAFS, EPR, and First-Principles Modeling on Electronic Structure and Ferromagnetism in Mn Doped SnO2 Quantum Dots


More Principles Modeling sentence examples
10.1021/acs.accounts.8b00378

The Middle Road Less Taken: Electronic-Structure-Inspired Design of Hybrid Photocatalytic Platforms for Solar Fuel Generation.


Learn more from Principles Modeling


Principles Modeling
Encyclopedia