npj Computational Materials Journal

Overview

publication venue for

• Machine learning in concrete science: applications, challenges, and best practices 2022
• First-principles prediction of electronic transport in fabricated semiconductor heterostructures via physics-aware machine learning 2021
• Accurate simulation of surfaces and interfaces of ten FCC metals and steel using Lennard-Jones potentials 2021
• The role of decomposition reactions in assessing first-principles predictions of solid stability 2019

Research

keywords

• materials by design, data mining, materials data generation, computational studies, materials discovery, Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials, Science: Mathematics: Instruments and machines: Electronic computers. Computer science: Computer software