Simulate the processes required to develop specific materials microstructures and properties. Develop skills and competencies in computational modeling and simulation. Simulate microstructural ...

Researchers at Kyoto University have developed a machine learning model integrated with neural networks to predict the band ...

We are equally grateful to all of the individuals who agree to review for npj Computational Materials, thereby helping to strengthen the scientific record. We hope that by highlighting a few of ...

This course covers the theory and application of atomic-scale computational materials tools to model, understand, and predict the properties of real materials. The course will cover quantum-mechanical ...

soft materials, computational materials science, and advanced materials design and processing. As a student, you will enhance your academic qualifications and skills to advance your career in this ...

Lehigh University researchers are pioneering AI-driven advancements in materials science with an $800,000 grant from the U.S. Department of Energy. Led by Dr. Chinedu Ekuma, the project focuses on ...

To achieve this, the following issues in current computational materials science must be resolved. The first target is to build an appropriate model of the real system in cyberspace. In computational ...

She has joined in 2023 the newly established Research Center of Future Energy Materials and Systems in Bochum. Her research activities focus on computational materials design, as well as on the ...

A new quantum-classical approach speeds up the discovery of photochromic materials. A joint research team has developed an ...