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MolecularHydrogenGUI

H₂ Simulation GUI Demo

This sample finds the equilibrium bonding distance of molecular Hydrogen. Estimates of the ground state energy are a funciton of bond distance are computed using the quantum phase estimation algorithm, using Hamiltonian simulation by a Trotter-Suzuki integrator.

Prerequisites

On top of .NET, this demo uses the Electron framework to display the results of simulating H₂. Since Electron is distributed using the Node.js Package Manager (npm), we must therefore install npm first.

Windows npm can be installed using chocolatey:

PS> choco install nodejs

Alternatively, manual downloads are available from nodejs.org.

macOS Download and run the Node.js installer package from nodejs.org.

Linux Most distributions include Node.js and npm, but that version might be out of date. To ensure that you have the latest version, we recommend using the packages provided by NodeSource:

curl -sL https://deb.nodesource.com/setup_9.x | sudo -E bash -
sudo apt-get install -y nodejs

Once npm is installed, we can then install all Node.js packages required for the front end using npm install:

npm install

Running the Demo

Once pre-reqs are ready, to run the demo from the command line use dotnet to start the project:

dotnet run