Some of the most used high-performance computing applications in science and engineering include:
Molecular dynamics simulation
Computational fluid dynamics
Climate modeling
Computational chemistry
Structural mechanics and engineering
Electromagnetic simulation
Seismic imaging and analysis
Materials science and engineering
Astrophysical simulation
Machine learning and data analysis
There are many computer codes used for molecular dynamics (MD) simulations, but some of the most frequently used ones are:
Groningen Machine for Chemical Simulation (GROMACS)
Assisted Model Building With Energy Refinement (AMBER)
Chemistry at Harvard Molecular Mechanics (CHARMM)
Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) Nanoscale Molecular Dynamics (NAMD)
OpenMM
There are several computer codes used for CFD simulations, but some of the most used ones are:
Ansys Fluent
OpenFOAM
COMSOL Multiphysics
STAR-CCM+
There are many computer codes used for climate modeling, but some of the most used ones are:
Community Earth System Model (CESM)
Model for Interdisciplinary Research on Climate (MIROC)
Geophysical Fluid Dynamics Laboratory (GFDL) climate model
European Centre for Medium-Range Weather Forecasts (ECMWF) model
UK Met Office Unified Model (MetUM)
Max Planck Institute for Meteorology (MPI-M) Earth system model
There are several computer codes used for computational chemistry, but some of the most used ones are:
Gaussian
ORCA
NWChem
Quantum ESPRESSO
Molecular Orbital Package (MOPAC)
Amsterdam Density Functional (ADF)
Q-Chem
There are many computer codes used for machine learning, but some of the most used ones are:
TensorFlow
PyTorch
scikit-learn
Keras
Caffe
These codes provide a wide range of ML algorithms, including supervised and unsupervised learning, deep learning, and reinforcement learning. They’re widely used for tasks such as image and speech recognition, natural language processing, and predictive analytics, and they’re essential tools for solving complex problems in areas such as computer vision, robotics, and finance.