History of PHASE The original version of this set of the computer programs “PHASE/0” was developed…Read More
First-Principles Calculation using PHASE: Lithium-Ion Rechargeable Battery and Search for the Cause of Degradations
Lithium-ion rechargeable batteries are charged and discharged by lithium ions traversing between the cathode/a…Read More
Large-Scale Molecular Dynamics Simulation of All Atoms of an Adhesive Interface Using MODYLAS
Akira Shimazu (Nitto Denko Corporation) Lamination of materials using adhesives is an indispensable technique …Read More
OACIS-tutorial
Tutorial (Basic usage) http://crest-cassia.github.io/oacis/ja/basic_usage.html Link http://crest-cassia.github…Read More
Voice from the OACIS developer
History of OACIS We started development in Apr.2013, and the initial version was released as an open soruce so…Read More
Calculating Free Energies of Polymers Using ERmod and Designing Functional Polymer Membranes
Toray has launched its “Green Innovation Project,” which aims to contribute to addressing the Earth’s environm…Read More
Calculation of Magnetic Properties and Ground State of Various Novel Organic Radical Magnets by Using ALPS
Hironori Yamaguchi (Osaka Prefecture University) Owing to the wide diversity of chemical modifiers in organic …Read More
Large-Scale Molecular Structure Calculation Based on MP2 Method (Wave Functional Theory that Includes Electron Correlation) with DC
One of the most commonly used methods for calculating the electronic state of molecules and solids is the dens…Read More
ALPSチュートリアル
Open-source software for lattice models of strongly correlated quantum systems Tutorial http://alps.comp-phys.…Read More
Voice from the ALPS developer
Voice from the ALPS developer Synge Todo（Department of Physics, University of Tokyo / ISSP） History of ALPS De…Read More