Tag: materials discovery

3 entries

Physics-guided Inverse Design of Co-based Superalloys Using Machine Learning and Multi-objective Optimization for Enhanced γ' Solvus Temperature

Materials

Proposes a physics-informed ML framework combined with multi-objective optimization for inverse design of Co-based superalloy compositions to enhance γ' solvus temperature while considering alloy density.

New See LICENSE file superalloyinverse designmulti-objective optimization

NTBuilder: Commensurate Construction of Nanotubes from Arbitrary Two-Dimensional Crystals and a Catalog of 20 Million Structures

Materials

Presents a general theory for rolling arbitrary 2D crystals into nanotubes, implemented as open-source NTBuilder with desktop and web interfaces, including a catalog of 20 million nanotube structures.

See LICENSE file nanotube2D crystalmaterials discovery

Uni-Macro-FRPN: Full-Resolution and Cross-Scale Learning for Polymers

Materials

Presents FRPN, a Full-Resolution Polymer Network that retains both atom-level details and monomer-level connectivity for multi-scale polymer property prediction.

See LICENSE file polymermulti-scale modelingmaterials discovery

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