アスムス Product Lineup

We offer a "Atomic Scale Material Simulation Contract Analysis Service" that assists from the setting of analysis content suitable for technical challenges. Deliverables include calculation input and output files. Please use them when conducting your own development tasks. Our engineers, who have extensive research experience in the field of materials science, will responsibly carry out the tasks. (The technical manager holds a Ph.D.) If appropriate tools do not exist, we will also undertake program development, including creating data processing scripts and theory-based solvers. *For more details, please download the PDF or feel free to contact us.

• Contract Analysis
• Contract Analysis

We develop scientific computing programs, including the atomic-scale material simulation "matelier" and the first-principles band calculation software "PHASE/0," with functionality enhancements and customizations for specific customer applications, as well as simulation software related to atoms and molecules. ――――――――――――― Main Achievements ◆ Program Development and Environment Setup - Development of a dielectric function calculation program using the disorder phase approximation - Addition of constant pressure molecular dynamics functionality to the first-principles electronic state calculation program - Memory reduction for vdWDF calculation functionality - Algorithm improvements for non-local potential calculations - Acceleration of hybrid functional calculation functionality - Improvements to antiferromagnetic calculation functionality and restructuring of subroutines - Development of data analysis programs for semiconductor inspection equipment - Development of numerical computation libraries (for acceleration and high precision) - Advanced parallelization for large-scale parallel computing (algorithm selection considering hardware characteristics) - Setup of computing environments for first-principles band calculations - Functionality expansion for Wannier90 ◆ Data Preparation - Optimization of pseudopotentials for first-principles band calculations - Creation of potential tables for LAMMPS

• Contract Analysis
• alloy
• Other metal materials

You can utilize it for the simulation of new materials (physical property value prediction). The first-principles band calculation software "PHASE/0" determines the electronic states of materials according to quantum mechanics, allowing for precise analysis. No parameters based on experimental results are required for the calculations. It can also be used for interpreting experimental results and predicting the physical property values of new materials. 【Main Analysis Targets】 Semiconductors (Group IV, Group III-V, nitrides, oxides, silicides; Si, SiC, GaN, Ga2O3, ZnO, etc.) / Dielectrics (high-k, low-k, ferroelectrics, piezoelectrics) / Magnetic materials (ferromagnetic materials, half-metals) / Organic compounds (molecular crystals) / Metals (alloys) / Minerals / Ceramics / Nanocarbon (graphene, nanotubes) / Amorphous materials (such as semiconductor oxide films) / Transition metal chalcogenides, etc. 【Main Applicable Industries】 Universities, public research institutions / Semiconductors, electronic materials / Electronics / Chemicals / Steel / Others (textiles, non-ferrous metals, rubber and tires), etc. Asmus Co., Ltd. offers software implementation and consulting services for "PHASE/0."

• simulator
• Other analyses