Computational Materials Design
GPTKB entity
Statements (33)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:academic
|
| gptkbp:application |
gptkb:ceramics
nanomaterials semiconductors polymers alloys |
| gptkbp:enables |
accelerated materials discovery
cost reduction in materials development property optimization |
| gptkbp:fieldOfStudy |
materials science
|
| gptkbp:goal |
design new materials
predict material properties |
| https://www.w3.org/2000/01/rdf-schema#label |
Computational Materials Design
|
| gptkbp:relatedTo |
gptkb:machine_learning
gptkb:Materials_Genome_Initiative computational chemistry materials informatics integrated computational materials engineering |
| gptkbp:uses |
gptkb:density_functional_theory
gptkb:Monte_Carlo_simulations multiscale modeling quantum mechanics finite element analysis computer simulations molecular dynamics high-throughput screening data-driven approaches first-principles calculations CALPHAD method phase field modeling thermodynamic modeling |
| gptkbp:bfsParent |
gptkb:Max_Planck_Institute_for_Iron_Research
|
| gptkbp:bfsLayer |
3
|