This channel contains videos associated with the Mat3ra platform.

Mat3ra is a computational platform for the design and development of new materials and chemicals. It converts low-level simulations into accessible and repeatable workflows. It allows scientists to reliably leverage multi-scale modeling tools, collaborate and organize their research in a single easy-to-use solution.

Mat3ra platform includes (as of 2019-04):

• Computer-aided design tools to visualize and design new atomic arrangements
• Modeling engines: Vienna Ab-initio Simulations package (VASP), Quantum ESPRESSO, LAMMPS, GROMACS, CP2K, NWChem
• Structured data and statistical models, supporting Materials Project, the Inorganic Crystal Structure Database (ICSD)
• RESTful application programming interface (API)

Learn more at:

1. Exabyte.io webpage: https://mat3ra.com/
2. Exabyte.io Platform: https://platform.mat3ra.com/register
3. Exabyte.io Platform Documentation: https://docs.mat3ra.com/

Mat3ra 2D, Part I: Webinar 2025-09-24
1:02:50
Mat3ra 2D, Part I: Webinar 2025-09-24
Mat3ra Onboarding: How to create jobs?
2:42
Mat3ra Onboarding: How to create jobs?
Mat3ra Tutorial: Using Jupyter notebooks for data analysis
3:43
Mat3ra Tutorial: Using Jupyter notebooks for data analysis
Mat3ra Tutorial: Accelerate Quantum ESPRESSO simulation with GPUs
3:26
Mat3ra Tutorial: Accelerate Quantum ESPRESSO simulation with GPUs
Mat3ra Tutorial: Various ways of accessing Mat3ra platform
5:30
Mat3ra Tutorial: Various ways of accessing Mat3ra platform
Digital Standards as a key enabler of AI-driven materials R&D. Timur Bazhirov @NIST 2024-07-18
22:55
Digital Standards as a key enabler of AI-driven materials R&D. Timur Bazhirov @NIST 2024-07-18
Mat3ra Tutorial: How to incorporate spin-orbit coupling in Quantum ESPRESSO
7:08
Mat3ra Tutorial: How to incorporate spin-orbit coupling in Quantum ESPRESSO
Mat3ra at the 2024 Artificial Intelligence for Materials Science (AIMS) Workshop @NIST
58:04
Mat3ra at the 2024 Artificial Intelligence for Materials Science (AIMS) Workshop @NIST
Mat3ra Tutorial: Spin-magnetic calculation using Quantum ESPRESSO
5:01
Mat3ra Tutorial: Spin-magnetic calculation using Quantum ESPRESSO
Mat3ra Tutorial: Optical property calculation using Quantum ESPRESSO SIMPLE.X
4:30
Mat3ra Tutorial: Optical property calculation using Quantum ESPRESSO SIMPLE.X
Mat3ra Tutorial: Large-scale molecular dynamics simulation using DFT, DeePMD, and LAMMPS
3:53
Mat3ra Tutorial: Large-scale molecular dynamics simulation using DFT, DeePMD, and LAMMPS
Mat3ra Tutorial: DFT+U and Hubbard parameter Calculation in Quantum Espresso
1:31
Mat3ra Tutorial: DFT+U and Hubbard parameter Calculation in Quantum Espresso
Mat3ra Tutorial: How to Calculate the Valence Band Offset
2:55
Mat3ra Tutorial: How to Calculate the Valence Band Offset
Interpretable ML: SISSO, XGBoost, TPOT, Roost, Webinar 2021-11-19
36:11
Interpretable ML: SISSO, XGBoost, TPOT, Roost, Webinar 2021-11-19
CateCom: Model Categorization for Data Science, Webinar 2021-10-22
41:27
CateCom: Model Categorization for Data Science, Webinar 2021-10-22
3D ➜ 2D ➜ 1D Materials, Webinar 2021-09-17
51:49
3D ➜ 2D ➜ 1D Materials, Webinar 2021-09-17
Exabyte.io Tutorial: Predict with a Random Forest Classifier
3:47
Exabyte.io Tutorial: Predict with a Random Forest Classifier
Exabyte.io Tutorial: Train a Random Forest Classifier
5:09
Exabyte.io Tutorial: Train a Random Forest Classifier
Exabyte.io Tutorial: Unsupervised Learning with K-means Clustering
6:06
Exabyte.io Tutorial: Unsupervised Learning with K-means Clustering
2D Materials and their Electronic Properties, Webinar 2021-08-20
1:02:12
2D Materials and their Electronic Properties, Webinar 2021-08-20
Dr. Kazuki Mori - Neural Network Molecular Dynamics, Webinar 2021-07-23
40:25
Dr. Kazuki Mori - Neural Network Molecular Dynamics, Webinar 2021-07-23
Generative ML for chemistry/materials, Webinar 2021-06-30
44:15
Generative ML for chemistry/materials, Webinar 2021-06-30
Auto ML for chemistry and materials, Webinar 2021-05-28
1:00:59
Auto ML for chemistry and materials, Webinar 2021-05-28
High-throughput + ML for adsorption studies, Webinar 2021-04-23
49:14
High-throughput + ML for adsorption studies, Webinar 2021-04-23
Exabyte.io Tutorial: Train a Neural Network
6:16
Exabyte.io Tutorial: Train a Neural Network
Exabyte.io Tutorial: Predict Using a Neural Network
3:28
Exabyte.io Tutorial: Predict Using a Neural Network
High-throughput calculations with RESTful API, Webinar 2021-03-26
46:13
High-throughput calculations with RESTful API, Webinar 2021-03-26
Introduction to RESTful API, Webinar 2021-02-19
40:46
Introduction to RESTful API, Webinar 2021-02-19
Migrating to + Collaboration on Exabyte.io Webinar 2020-12-18
38:54
Migrating to + Collaboration on Exabyte.io Webinar 2020-12-18
Getting started with Exabyte.io, 2020 12 04 Webinar Recording
53:19
Getting started with Exabyte.io, 2020 12 04 Webinar Recording