❓ Final quiz

What is of greatest interest for the design of new materials?

• Solid state physics

• Crystalline symmetry

• Relationships "Structure - Property"

• Performance characteristics of aerospace products

• Machine learning

Why are periodic boundary conditions needed when describing crystals?

• To plot an image of the crystal structure

• To describe the elementary component of an infinite structure

• Only to calculate the Coulomb interaction potential

• To find a set of integers N describing the periods of translations

How many atoms must be included in the minimal description of the unit cell of the structure shown in the figure?

• 1

• 2

• 3

• 4

What objects are used to describe the structure of crystals?

• Primitive cell

• Unit cell

• Set of translation vectors

• Voronoi tessellation

• Least Absolute Shrinkage and Selection Operator

What is the Materials Project database designed for?

• The Materials Project provides open web access to accurate information about known and suspected materials, as well as private access to the information needed to quickly and experimentally obtain these materials.

• The Materials Project stores the results of material property calculations in the form of multi-level dictionaries and provides an API for loading and editing them. This data eliminates the need for experimental elastic property measurements when obtain new materials.

• The Materials Project provides open web access to information about all known materials, as well as tools for downloading the data to local storage.

• The Materials Project provides open web access to information about known and suspected materials, as well as analysis tools for theoretical and experimental development of materials.

Summarize main steps for machine learning model building for materials properties prediction

• Data acquisition

• Model validation

• Model selection and tuning

• Feature engineering and selection

• Removing correlated samples

How are descriptors used in machine learning?

• To describe complex systems or properties numerically

• To describe a search query using lexical units

• To translate string values into vector representation

• To be used as a function to decrypt the output of a cryptographic analyzer

Choose category for materials properties used in feature engineering:

• symmetry, interatomic distance

• Structural properties

• Thermodynamic

• Compositional

• Mechanical

Choose category for materials properties used in feature engineering:

• concentration weighted atomic radius and atomic mass

• Thermodynamic

• Compositinal

• Mechanical

• Structural

Choose category for materials properties used in feature engineering:

• hardness, bulk modulus

• Thermodynamic

• Compositinal

• Mechanical

• Structural