CASM — A software package for first-principles based study of multicomponent crystalline solids
Brian Puchala, John Thomas, Anirudh Raju Natarajan, Jon Gabriel Goiri, Sesha Sai Behara, Jonas L. Kaufman, Anton Van der Ven
Topics & Concepts
Degrees of freedom (physics and chemistry)Statistical physicsParameterized complexityMonte Carlo methodComputer scienceFinite element methodCluster (spacecraft)Basis (linear algebra)SoftwarePhysicsAlgorithmMathematicsThermodynamicsGeometryProgramming languageStatisticsMachine Learning in Materials Sciencenanoparticles nucleation surface interactionsX-ray Diffraction in Crystallography