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  1. Home
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  4. Beginner Seminar for Those Who Want to Start First-Principles Calculations | On-Demand Event
SEMINAR_EVENT
  • Sep 30, 2020
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Sep 30, 2020

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

アスムス アスムス
Asmus-hosted Material Simulation ◆On-Demand Event◆ "Beginner's PHASE/0 Introduction Seminar" Applications are being accepted at any time https://www.asms.co.jp/news/seminar_onDemand.html This seminar is designed as a basic introduction for those who are interested in first-principles calculations but do not know where to start, and for those who want to explore how first-principles calculations can benefit their research and development challenges. While the applications of first-principles calculations are diverse, we will focus on fundamental concepts that are common to many technical challenges without delving into specific applications. During the Q&A session, we will introduce application examples individually based on your interests. Please see the details below.
Date and time Always open
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Entry fee Free You need to apply.
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First-principles calculation material simulation matelierPHASE/0

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

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Asmus's Material Calculation Science Program Development Service

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

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Related catalog(3)

matelier PHASE/0 First-principles pseudopotential band calculation software

matelier PHASE/0 First-principles pseudopotential band calculation software

PRODUCT
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Asmus's material simulation contract analysis service

Asmus's material simulation contract analysis service

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First Principles Calculation ◆ Product Catalog ◆ Case Study Download

First Principles Calculation ◆ Product Catalog ◆ Case Study Download

TECHNICAL
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【11/13・11/14】Business Innovation Fair 2025 Autumn in Makuhari

  • NEW
  • SEMINAR_EVENT

We want to improve our operations with AI, but what exactly can we do... For those who want to actually try out and compare services, we have an announcement. The electronic contract and document management service paperlogic will be exhibiting at the 'Business Innovation Fair 2025 Autumn in Makuhari' hosted by Otsuka Shokai on November 13th (Thursday) and 14th (Friday) at the Hotel Green Tower Makuhari. Seminars on business improvement and AI utilization will also be held, so if you are nearby, please come and visit us. ● We will also be conducting product demonstrations of paperlogic at the venue. The biggest feature of paperlogic is that it is easy to use and simple, yet it complies with all document management regulations, including the Electronic Bookkeeping Act. We invite you to experience this simplicity firsthand.

Nov 06, 2025

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Shall we start with the inspection work on December 4th? Quality Assurance DX.

  • NEW
  • SEMINAR_EVENT

What should we start with for the digital transformation (DX) in the quality assurance department? ■ Transitioning from manual input to automatic input for inspection sheet creation! ■ Connecting measurement result input tasks to digital calipers for automatic judgment! We propose to not only maximize the use of CAD drawings to streamline inspection operations but also to initiate the digital transformation starting from inspection tasks.

Nov 05, 2025

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Notice of Participation in the International Robot Exhibition (iREX 2025) from December 3 (Wednesday) to December 6 (Saturday), 2025

  • NEW
  • SEMINAR_EVENT

The electric actuator manufacturer LINAK will be exhibiting for the first time at the "International Robot Exhibition (iREX 2025)" held at Tokyo Big Sight. This exhibition is highly regarded both domestically and internationally as "one of the largest robot specialized exhibitions in the world." At the venue, we plan to showcase our lifting column "LC3 IC Elevate," which is suitable for lifting applications with collaborative robots, as well as electric cylinder solutions for AGV/AMR. We will propose sustainable and flexible automation solutions. Please be sure to visit our booth.

Nov 05, 2025

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[November 6 (Thursday) to November 7 (Friday), 2025] Announcement of participation in the 39th Hokkaido Business EXPO.

  • NEW
  • SEMINAR_EVENT

Fuji Chemical Co., Ltd. will be exhibiting at the "39th Hokkaido Business EXPO" held at Access Sapporo. This exhibition is one of the largest business events in Hokkaido. We plan to showcase GRP pipes for wastewater, pipes for hot springs, and pipes for plants. We sincerely look forward to your visit.

Nov 05, 2025

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November 12 (Wednesday) to 14 (Friday), 2025 - Announcement of participation in the 17th International Food Comprehensive Exhibition, Food Messe in Niigata 2025.

  • NEW
  • SEMINAR_EVENT

Fujikako Co., Ltd. will be exhibiting at the "17th International Food Trade Fair Food Messe in Niigata 2025," held at the Toki Messe Niigata Convention Center. This exhibition is an "International Comprehensive Food Trade Fair" that creates new value from tradition to advanced trends, bringing together participants from across the country to Niigata and from Niigata to the nation. We plan to showcase our Fuji GRP pipes for wastewater. We sincerely look forward to your visit.

Nov 05, 2025

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  • スマートファクトリーJAPAN 2025出展 会期12/3(水)~5(金) 会場 東京ビッグサイト 南ホールF-22
  • 金属・化学・窯業・食品・医薬品などのほぐし・解砕・ふるい分けがこれ一台 解砕機構付き佐藤式振動ふるい機 つばさ デモ実施中!
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