1. nanoHUB-U: From Atoms to Materials: Predictive Theory and Simulations

   A five-week course on the basic physics that govern materials at atomic scales.

2. MSE 270: Atomistic Materials Science

3. EAFIT-Purdue: online simulations in engineering and science education

4. Atomistic View of Materials: Modeling & Simulation

   An introduction to the fundamental physics required to describe materials at the molecular level....

5. Introduction to Uncertainty Quantification

   The objective of this summer school on Uncertainty Quantification and its Applications is to...

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1. High Temperature Oxide Property Explorer

   29 Jun 2020 | Contributor(s): Zachary D McClure, Alejandro Strachan

   Explore material properties of common and niche oxide materials for high-temperature applications

2. Refractory Complex Concentrated Alloy Melting Point Calculation

   28 May 2020 | Tools | Contributor(s): Zachary D McClure, Saaketh Desai, Alejandro Strachan

   Calculate melting point of BCC-type high entropy alloys through phase coexistence method

3. Parsimonious Neural Networks Learn Classical Mechanics and Can Teach It

   15 May 2020 | Papers | Contributor(s): Saaketh Desai, Alejandro Strachan

   We combine neural networks with genetic algorithms to find parsimonious models that describe the time evolution of a point particle subjected to an external potential. The genetic algorithm is designed to find the simplest, most interpretable network compatible with the training data. The...

4. Test Tool for Neural Network Reactive Force Field for CHNO systems

   14 May 2020 | Tools | Contributor(s): Pilsun Yoo, Saaketh Desai, Michael N Sakano, Peilin Liao, Alejandro Strachan

   Run molecular dynamics and Do testing using the neural network reactive force field for nitramines

5. Hands-on Data Science and Machine Learning Training

   21 Apr 2020 | Series | Contributor(s): Alejandro Strachan, Saaketh Desai

   This series of hands-on tutorials is designed to jump start your use of data science and machine learning in research or teaching. This series will cover the following topics:Learn how to use Jupyter notebooks for your researchInteract with data repositories and manage...

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1. Purdue Workshop—Predictive materials modeling and simulations: nano- and micro-mechanics

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   Objectives This by-invitation-only workshop will focus on recent progress and current challenges in the area of experimentally validated, predictive modeling of mechanical properties of nano- or micro-engineered materials. Areas of interest include micro- and nano-electromechanical devices...

2. Learning Module: Atomic Picture of Plastic Deformation in Metals

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   The main goal of this learning module is to introduce students to the atomic-level processes responsible for plastic deformation in crystalline metals and help them develop a more intuitive understanding of how materials work at molecular scales. Image to the right shows plastic deformation of a...

3. Molecular dynamics simulations of materials

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   What is MD? Molecular dynamics involves the numerical solution of the classical equations of motion (F=ma) for every single atom in material. The result is a very detailed description of the temporal evolution of the material: we obtain the position, velocity and force of every atom as a...

4. Resources for Materials Science and Engineering

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   Ab initio electronic structure simulation tools ABINIT :ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory, using...

5. Learning Module: Bonding and Band Structure in Silicon

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   The main goal of this learning module is to help students learn about the correlation between atomic structure and electronic properties, and help them develop a more intuitive understanding of the origin of electronic bands in a material via hand-on exploration using online electronic structure...

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