MatForge
As part of the NSF NSDL, MatDL Pathway provides a branded, trusted, non-commercial, and neutral site supporting open source, collaborative, materials code development.
By acting as a hub for research and education in the materials community, MatDL Pathway promotes interactions between materials research code developers and:
- other similar code projects;
- researchers generating scientific data which could be used to test code; and
- educators interested in using the codes in their courses either as interactive modules to illustrate concepts or as a starting point for students learning computational coding.
Projects:
- FiPy - an extensible object oriented, partial differential equation (PDE) solver, written in Python, based on a standard finite volume (FV) approach.
Project Administrators: Jonathan Guyer, Daniel Wheeler, James Warren, MSEL/NIST.
- Carnegie Mellon Computational Materials Science - A collection of projects with special emphasis on digital microstructure generation, evolution, and analysis. Also various subroutines and scripts for crystallographic texture analysis and data visualization.
Project Administrator: Anthony Rollett, Materials Science and Engineering, Carnegie Mellon University
- Department of Energy. Computatonal Materials Science Network Cooperative Research Team - Dynamics and Cohesion of Materials Interfaces and Confined Phases Under Stress.
This project brings together over 25 researchers from academia and national labs, supported through the Department of Energy "Computational Materials Science Network" (Program Link) to address challenging new methodological developments required to understand at a fundamental level the physics governing complex interface-dominated processes associated with the breakdown of crystal cohesion and failure of stressed polycrystalline materials. The development and validation of multiscale simulation methodologies are being undertaken in the context of enabling predictive modeling of interface-mediated processes relevant to the processing and lifetime of materials for high-temperature energy-related applications.
Project Administrator: Mark Asta, Chemical Engineering & Materials Science, University of California at Davis
- Gibbs - a multi-component thermodynamics calculation and visualization suite.
Project Administrators: Adam C. Powell IV, Opennovation; R. Edwin Garcia, Purdue University; Raymundo Arroyave, Texas A&M.
- Lab for Computational Nanoscience and Soft Matter Simulation
Project Administrator: Sharon Glotzer, Departments of Chemical Engineering, Materials Science and Engineering, Physics, Macromolecular Science and Engineering, and Applied Physics, University of Michigan
- Glotzilla - an object-oriented library for performing molecular simulations, data analysis, and visualization of molecular systems.
- IPGZ (Image Processing GlotZilla) Development Site - a C++ library of functions for processing images and voxel data in both 2D and 3D which includes data filtering routines as well as routines to identify the centers of mass of spherical objects.
- Transition Path Sampling (TPS) – a library incorporating new techniques into the study of rare events in molecular simulations.
- Powell Research Group
Project Administrator: Adam C. Powell IV, Opennovation.
- ChemPhys 74495 Computational Materials Science - a graduate class on computational materials science.
Project Administrator: Robin Selinger, Chemical Physics Program and Liquid Crystal Institute, KSU.
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