Beginner Seminar for Those Who Want to Start First-Principles Calculations | On-Demand Event

Material simulation using first-principles calculations 'matelier PHASE/0'. For predicting physical properties of new materials, interpreting experimental results, and solving problems.

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

We will develop program software for scientific and technological calculations related to atoms and molecules, tailored to individual customer requests.

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

• alloy
• Other metal materials
• Contract Analysis

We would like to extend our heartfelt congratulations on the continued prosperity of your esteemed company. Our company will be exhibiting at the following trade show, where we will showcase a variety of products, including new ones. We sincerely invite you to visit us during this busy time. 【 Exhibition Name 】 Automotive Technology Exhibition 2025 YOKOHAMA https://aee.expo-info.jsae.or.jp/ja/yokohama/ (An "online exhibition" will also be held during and around the event period) 【 Dates 】 May 21 (Wednesday) - 23 (Friday), 2024 10:00 AM - 6:00 PM *On the final day, 9:00 AM - 4:00 PM (Online exhibition: May 14 (Wednesday) - June 4 (Wednesday)) 【 Venue 】 Pacifico Yokohama (1-1-1 Minatomirai, Nishi-ku, Yokohama, Kanagawa Prefecture) Our booth number: "Concourse 505"

We would like to extend our heartfelt congratulations on the continued prosperity of your esteemed company. Our company will be exhibiting at the following trade show, where we will showcase a variety of products, including new ones. We sincerely apologize for the inconvenience during your busy schedule, but we would like to invite you to attend this event. 【 Exhibition Name 】 27th INTERPHEX Week Tokyo https://www.interphex.jp/tokyo/ja-jp.html 【 Dates 】 July 9 (Wednesday) - 11 (Friday), 2025 10:00 AM - 5:00 PM 【 Venue 】 Tokyo Big Sight (3-11-1 Ariake, Koto-ku, Tokyo 135-0063)

We will be exhibiting at the "P-MEC Japan 2025 Pharmaceutical Ingredients and Equipment Exhibition" held at Tokyo Big Sight. During the event, we will showcase various products. We invite all relevant parties to come and visit us. 【Suppliers】 ・LAUDA

In conversations with engineers in the manufacturing industry, I have increasingly received the following inquiries: - Confusion in interpreting experimental results - Taking time to organize hypotheses regarding the causes of troubles - Uncertainty about how to evaluate the impact of changes in raw materials or processes - Anxiety about the judgment of results from external testing organizations Considering the themes being discussed internally, I thought, "Could there be an opportunity to provide support as a third-party engineer for brainstorming?" Therefore, we have decided to establish a trial "Technical Consultation Opportunity." 【Overview of Technical Consultation】 - Target: Engineers and research and development personnel in the manufacturing industry, etc. - Content: Organizing experimental plans, interpreting results, organizing trouble hypotheses, etc. - Format: Online (approximately 60 minutes) - Cost: Free for the first consultation - Recruitment: Limited to 5 companies *Please note that we will take sufficient care to respect the confidentiality of each company's information and will not disclose anything externally. We hope you can consult with us with confidence. This will be more of a space for open exchange of opinions between researchers and engineers rather than a sales proposal. If you have any themes you are currently considering, please feel free to reach out. If you are interested, please contact us with "Request for Technical Consultation," and we will provide you with further details.

Thank you very much for visiting our booth this time. Thanks to you, we had the opportunity to introduce our products and technologies to many customers, making it a very meaningful time. If you have any questions regarding the exhibition content or if you would like to discuss specific considerations or estimates, please feel free to contact us. We will be happy to provide proposals tailored to your needs.