A PC that is pre-installed with Advance/NanoLabo and can be used immediately upon arrival, perfect for first-principles calculation purposes.
We offer a PC with an optimal configuration for first-principles calculations, equipped with the software "Advance/NanoLabo," designed for beginners in first-principles calculations and molecular dynamics. Advance/NanoLabo is an integrated GUI for nanomaterial analysis that supports various first-principles calculation and molecular dynamics software. It allows for easy searching of material databases and straightforward modeling and calculation condition settings. Additionally, after executing calculations, results can be instantly displayed in graphics. The feature of Advance/NanoLabo is that it is designed to be intuitively operated with minimal steps, making it ideal for those who are just starting with material simulations. Our turnkey system for Advance/NanoLabo comes with the software pre-installed on the PC, allowing you to easily begin using material simulation tools.
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basic information
At Tegara, we offer four basic models suitable for Advance/NanoLabo (Entry/Standard/Middle/High-End). Please choose the optimal model according to your usage environment and purposes. 【Example of Entry Model】 This is an affordable entry configuration featuring an Intel Core i9 series CPU. It is recommended for users who want to try out Advance/NanoLabo first. CPU: Core i9-14900K (3.20GHz 8 cores + 2.40GHz 16 cores) Memory: 64GB Storage: 1TB SSD M.2 Video Card: NVIDIA T400 4GB OS: Microsoft Windows 11 Professional 64bit For specifications of other models, please check the website of Tegara Corporation's TKS Division.
Price information
The Advance/NanoLabo turnkey system has varying prices depending on the model, type of software license, and application. Please contact us for pricing information.
Delivery Time
Applications/Examples of results
<Main Features> - Icon display of crystal structures - Material database search via chemical formula input - Modeling of crystals, surfaces, interfaces, and molecules - Support for open-source calculation engines - Various visualization features such as band structure, vibrational modes, reaction pathway residuals, and dynamic animations <Examples of Applications> ◆ Work function calculation for K/Cu(001) system using ESM method Using the Effective Screening Medium (ESM) method, the work function on the Cu(001) surface with adsorbed potassium is calculated. The change in work function depending on coverage can be simulated. ◆ Molecular dynamics calculation of water/methanol mixed solution A model of a water/methanol mixed solution (volume ratio 1:1) is created, allowing for molecular dynamics simulation under NPT ensemble conditions at room temperature and pressure (300K, 1bar). ◆ Diffusion pathway analysis of Al adatom using NEB method Using the NEB method, the diffusion process of adatoms on the Al(001) surface is analyzed. The two diffusion processes, Hopping and Exchange, can be calculated to determine the activation energy.
Line up（4）
| Model number | overview |
|---|---|
| Entry Model | This is an entry-level configuration with reasonable specifications and price, featuring an Intel Core i9 series CPU. It is recommended for users who want to try out Advance/NanoLabo first. |
| Standard Model | This configuration is optimized for performing DFT calculations on 100-atom systems using Advance/NanoLabo. It is a basic model (Standard Model) equipped with an Intel Xeon CPU designed for workstations, providing sufficient performance for fundamental first-principles calculations. |
| Middle Model | This configuration is optimized for performing DFT calculations on surface models of 100-atom systems using Advance/NanoLabo. It uses a CPU with a higher core count from the same Xeon W5 series as the Standard Model, delivering enhanced performance for surface model calculations. |
| High-End Model | This configuration is optimized for performing DFT calculations on transition metals in 100-atom systems using Advance/NanoLabo. It features a CPU with a higher core count to handle calculations focused on transition metals. Additionally, it is equipped with 256GB of memory, which is double the manufacturer-recommended capacity, providing ample headroom. |
Company information
Tegara Corporation is forming a research and development platform that integrates specialized product procurement and sales, information provision, and support services for researchers and developers nationwide. In the field of research and development, where speed holds value, it is Tegara's mission to assist our customers in accelerating their research and development efforts, thereby contributing to the advancement of research and development in Japan and around the world. To remain a strong partner for researchers and developers, our company continuously hones new technologies and strengthens our support system every day.