Wissam A. Saidi

University of Pittsburgh

United States

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Articles (20)

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2022

Collaborators (4)

Meng Li

University of Pittsburgh

UNITED STATES

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Frances Ross

Professor

Massachusetts Institute of Technology

UNITED STATES

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Prineha Narang

Harvard University

UNITED STATES

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Jung-Kun Lee

University of Pittsburgh

UNITED STATES

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Wissam A. Saidi

Research Interests

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Articles (20)

The Morphology and Interface Structure of Titanium on Graphene

Machine Learning-Accelerated First-Principles Molecular Dynamics Reveals C–C Coupling Mechanisms toward Ethylene on Cu(100)

Machine Learning-Accelerated First-Principles Molecular Dynamics Explains Anomalous Lattice Thermal Expansion in BaZr0.78Y0.22O3-δ

Theoretical Investigations of Anharmonic Effects and Phonon Transport in the Cubic Phase of Crystalline Perovskite CsPbCl3

Toward a Better Understanding of Ni Coarsening in Solid Oxide Cells: NiH on Ni (111) Examined Using a Combined Theoretical Approach

Deep-learning neural network potentials for titanate perovskites

Cu–Ni Oxidation Mechanism Unveiled: A Machine Learning-Accelerated First-Principles and in Situ TEM Study

Band Gap Narrowing in Lead-Halide Perovskites by Dynamic Defect Self-Doping for Enhanced Light Absorption and Energy Upconversion

Sub-bandgap charge harvesting and energy up-conversion in metal halide perovskites: ab initio quantum dynamics

Overcoming Inaccuracies in Machine Learning Interatomic Potential Implementation for Ionic Vacancy Simulations

Study of Tritium Diffusivity in Pure and Sn-Defective Zr: A First-Principles Density Functional Theory Approach

Simple Approach for Reconciling Cyclic Voltammetry with Hydrogen Adsorption Energy for Hydrogen Evolution Exchange Current

Development and Validation of Versatile Deep Atomistic Potentials for Metal Oxides

Highly transferable atomistic machine-learning potentials from curated and compact datasets across the periodic table

Computationally Guided Design to Accelerate Discovery of Doped β-Mo2C Catalysts toward Hydrogen Evolution Reaction

Applicability of Allen–Heine–Cardona Theory on MOx Metal Oxides and ABO3 Perovskites: Toward High-Temperature Optoelectronic Applications

Atomistic Mechanisms of Binary Alloy Surface Segregation from Nanoseconds to Seconds Using Accelerated Dynamics

Electron-Volt Fluctuation of Defect Levels in Metal Halide Perovskites on a 100 ps Time Scale

Reconciling the Volcano Trend with the Butler–Volmer Model for the Hydrogen Evolution Reaction

Uneven Oxidation and Surface Reconstructions on Stepped Cu(100) and Cu(110)

Collaborators (4)

Meng Li

Frances Ross

Prineha Narang

Jung-Kun Lee

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