Computational Materials Science Group in NIMS¶
Apr 27, 2023 updated
Welcome to the Computational Materials Science Group at the National Institute for Materials Science, where we conduct cutting-edge research in the field of computational materials science. Our mission is to develop world-class software based on first-principles electronic structure calculations, which are widely used in research and industry. Our group focuses on developing new computational methods and algorithms to solve complex problems in materials science, such as predicting the properties of novel materials, designing new catalysts, and understanding the behavior of materials under extreme conditions. We also collaborate with experimentalists to validate our theoretical predictions and explore new research directions. If you are interested in joining our team or learning more about our research, please don’t hesitate to contact us!
- (4.Apr.2023) Dr. Nakano’s paper, “Toward Chemical Accuracy Using the Jastrow Correlated Antisymmetrized Geminal Power Ansatz”, was published in J. Chem. Theory Comput. (2023/IF=6.578).
- (31.Mar.2023) Dr. Nakano’s paper, “Topological Data Analysis for Revealing the Structural Origin of Density Anomalies in Silica Glass”, was published in J. Chem. Phys. B (2023/IF=3.466).
- (13.Mar.2023) Dr. Nakano’s paper, “Quantum phase diagram of high-pressure hydrogen”, was published in Nat. Phys. (2023/IF=19.68).