Скачать или смотреть How to Create a Gaussian Input File for QM Calculations in Parallel on Ubuntu

In this step-by-step tutorial, we demonstrate how to generate a Gaussian input file for running a quantum mechanics (QM) calculation of meta-cyclophane using multiple processor cores on an Ubuntu Linux system. Learn how to define molecular geometry, specify calculation parameters, and optimize resource usage for efficient computational chemistry simulations.

What Are Cyclophanes?
Cyclophanes are a unique class of cyclic aromatic compounds where benzene rings are bridged by aliphatic chains. Their unusual three-dimensional structures lead to interesting electronic properties, making them important in supramolecular chemistry, materials science, and nanotechnology. Understanding their quantum mechanical behavior through computational methods like Gaussian is crucial for designing new functional materials and molecular electronics.

🔹 Topics Covered:

Setting up Gaussian on Ubuntu
Writing a Gaussian input file for meta-cyclophane
Optimizing QM calculations for multi-core processing
Running Gaussian calculations on Linux
Whether you're a computational chemistry student, researcher, or Gaussian user, this guide will help you efficiently set up and run QM simulations.

📌 Subscribe for more computational chemistry tutorials!

#Gaussian #QuantumChemistry #ComputationalChemistry #MetaCyclophane #Cyclophanes #GaussianInputFile #Ubuntu #Linux #QMCalculations #GaussianTutorial #MultiCoreProcessing #MolecularModeling