Computational Tools and Modeling | NREL HydroGEN

Electronic-Structure Modeling for Atomistic Understanding of Catalytic Materials with Real-World Distributions of Facets and Defects

Read more about Electronic-Structure Modeling for Atomistic Understanding of Catalytic Materials with Real-World Distributions of Facets and Defects

Multiscale Modeling of Solid-State Interfaces and Microstructures in High-Temperature Water Splitting Materials

Read more about Multiscale Modeling of Solid-State Interfaces and Microstructures in High-Temperature Water Splitting Materials

Multi-Scale Thermochemical and Electrochemical Modeling for Material Scale-Up to Component and System Design

Read more about Multi-Scale Thermochemical and Electrochemical Modeling for Material Scale-Up to Component and System Design

STH Efficiency Prediction Platform

Read more about STH Efficiency Prediction Platform

Uncertainty Quantification in Computational Models of Physical Systems

Read more about Uncertainty Quantification in Computational Models of Physical Systems

Multiscale Modeling of Water-Splitting Devices

Read more about Multiscale Modeling of Water-Splitting Devices

SeqQuest: Quantum Electronic Structure Code for Density Functional Theory Calculations in Solid State Systems

Read more about SeqQuest: Quantum Electronic Structure Code for Density Functional Theory Calculations in Solid State Systems

LAMMPS: Open-Source, High-Performance, and High-Fidelity Molecular Dynamics Code for Simulations of Chemical and Physical Processes of Materials

Read more about LAMMPS: Open-Source, High-Performance, and High-Fidelity Molecular Dynamics Code for Simulations of Chemical and Physical Processes of Materials

Prospective LCA Model for 1-GW Scale PEC Hydrogen Plant

Read more about Prospective LCA Model for 1-GW Scale PEC Hydrogen Plant

First Principles Materials Theory for Advanced Water Splitting Pathways

Read more about First Principles Materials Theory for Advanced Water Splitting Pathways

1
2
3
next
last