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MechGPT, a language-based strategy for mechanics and materials modeling

Machine learning accelerated discovery of corrosion-resistant high-entropy alloys

Energy landscape in NiCoCr-based middle-entropy alloys

The thermodynamic meaning of negative entropy

Geometry-controlled kinetics

Shining light on transition metal oxides unveiling the hidden Fermi Liquid

Magnetic origin of chemical balance in alloyed Fe-Cr stainless steels first-principles and Ising model study

False Prediction of Fundamental Properties of Metals by Hybrid Functionals

Valence band electronic structure of V2O3 identification of V and O bands

The problem of a metal impurity in an oxide ab-initio study of electronic and structural properties of Cd in Rutile TiO2

On Rabi Oscillations Between Bloch Bands

When does a quantum mechanical system depend on the initial conditions of the system or the environment

Binding, Stability, and Non-binding of Multi-polaron Systems

Application of the Exact Muffin-Tin Orbitals Theory

Perturbation theory for confined systems

From Navier-Stokes To Einstein

Energy Cost to Make a Hole in the Fermi Sea

Entropy and the uncertainty principle

A map of single-phase high-entropy alloys

Applications of quantum Monte Carlo methods in condensed systems

Interatomic Fe–Cr potential for modeling kinetics on Fe surfaces

Energy ordering of grain boundaries in Cr2O3 insights from theory

Low field electron mobility in alpha-Ga2O3 An ab-initio approach

Enhanced Electron Transport in Thin Copper Films via Atomic-Layer Materials Capping

Atomistic mechanisms of binary alloy surface segregation from

Role of Zirconium Conversion Coating in Corrosion Performance of Aluminum Alloys

Electron Localization at Metal Surfaces

Structural and Magnetic Properties of Fe-Al alloys

An Atomistic Machine Learning Package for Surface Science

Advanced Capabilities for Materials Modelling With Quantum ESPRESSO

Henri Maldiney (1912-2013)

Revisiting Zitterbewegung

Classical Statistical Distributions Can Violate Bell-type Inequalities

Machine learning force fields

The world as a hologram.pdf

Did the universe have a beginning.pdf

Ab Initio Monte Carlo Simulations of the Acidic Dissolution of Stainless Steels Further Insights into the Mechanisms.pdf

Ab Initio Monte Carlo Simulations of the Acidic Dissolution of Stainless Steels Further Insights Into the Mechanisms

Théorie de La Fonctionnelle de La Densité

Théorie de la Fonctionnelle de la Densité - iramis - CEA.pdf

Théorie de La Fonctionnelle de La Densité - Iramis - CEA

cours Analyse numeriques.pdf

Did the universe have a beginning.pdf

Water-Induced Bimetallic Alloy Surface Segregation a first principles study

Surface Energies, Work Functions, And Surface Relaxations of Low Index Metallic Surfaces From First-principles

Modeling of Nucleation Processes

Electronic Hamiltonian for Transition-metal Oxide Compounds

Pseudopotentials for High-throughput DFT Calculations

Pseudopotentials for high-throughput DFT calculations.pdf