Tags :Materials Design

MedeA 3.12: Materials Simulation with Integrated Machine Learning MedeA 3.12 is a major release of Materials Design’s computational environment for materials science, announced in December 2025 . This version establishes a comprehensive machine-learned potential (MLP) ecosystem spanning training, deployment, and analysis. Key New Features in MedeA 3.12 Complete Machine Learning Potential (MLP) Workflow Seamless VASP-to-LAMMPS Pipeline: Train MLFFs in VASP and deploy directly to LAMMPS with automatic .frc file generation GRACE Foundational Models: Universal MLPs (GRACE-1L-OMAT, -2L-OMAT, -1L-OAM, -2L-OAM) available for immediate use MLPG Enhancement: Direct fitting of GRACE 1L/2L potentials within the MLPG module VASP 6.5.1 MLFF Enhancements Descriptor reduction controls for increased efficiency Spilling factor quality assessment for MLFF reliability Enhanced training set management using structure lists Export...

JMatPro 14.1 | Advanced Materials Property Simulation Software JMatPro 14.1 is a comprehensive software for calculating a wide range of material properties for multi-component alloys, with a strong focus on steels, nickel, aluminum, titanium, and magnesium-based systems. It uses robust thermodynamic models to predict properties critical for materials design and engineering simulations. Core Functionality Overview: Thermodynamic & Physical Property Calculation: Predicts temperature-dependent properties such as phase equilibria, thermophysical data, mechanical properties, and transformation kinetics for complex industrial alloys. Specialized Modules for Metal Processing: Includes dedicated models for simulating processes like solidification (microstructure, Scheil-Gulliver), heat treatment (TTT/CCT diagrams), and hot/warm working (flow stress). Integration with Engineering Software: Generates material data files (e.g., for casting, forging, and FEM simulation software) to provide...