Recent advances and applications of machine learning in solid-state materials science

Jonathan Schmidt, Mário R. G. Marques, Silvana Botti, +1

npj Computational Materials

Artificial IntelligenceCrystal StructureEngineeringMachine LearningMachine Learning Tool +19

The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

Scott Kirklin, James E. Saal, Bryce Meredig, +4

npj Computational Materials

EngineeringComputational ChemistryChemistryElectronic StructureSpectra-structure Correlation +18

The ReaxFF reactive force-field: development, applications and future directions

Thomas P. Senftle, Sungwook Hong, Md Mahbubul Islam, +10

npj Computational Materials

EngineeringMechanical EngineeringMaterial SimulationComputational ChemistryChemistry +16

Machine learning in materials informatics: recent applications and prospects

Rampi Ramprasad, Rohit Batra, Ghanshyam Pilania, +2

npj Computational Materials

A general-purpose machine learning framework for predicting properties of inorganic materials

Logan Ward, Ankit Agrawal, Alok Choudhary, +1

npj Computational Materials

Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries

Aiping Wang, Sanket Kadam, Hong Li, +2

npj Computational Materials

Recent advances and applications of deep learning methods in materials science

Kamal Choudhary, Brian DeCost, Chi Chen, +10

npj Computational Materials

Precision and efficiency in solid-state pseudopotential calculations

Gianluca Prandini, Antimo Marrazzo, Ivano E. Castelli, +2

npj Computational Materials

Understanding the physical metallurgy of the CoCrFeMnNi high-entropy alloy: an atomistic simulation study

Won-Mi Choi, Yong Hee Jo, Seok Su Sohn, +2

npj Computational Materials

EngineeringSevere Plastic DeformationMechanical EngineeringMolecular DynamicsCorrosion +19

A strategy to apply machine learning to small datasets in materials science

Ying Zhang, Chen Ling

npj Computational Materials

EngineeringMachine LearningMachine Learning ToolMaterial SimulationComputational Nanostructure Modeling +19