Molecular Design of New Battery Materials for the Energy Industry 'Gaussian'
Cutting-edge electronic state calculations and computational chemistry models to accelerate battery material development.
In the energy industry, particularly in the development of battery materials, it is essential to accurately predict the properties of materials and link them to performance improvements. Understanding molecular-level behavior is crucial for designing new battery materials and improving existing ones, with particular emphasis on evaluating the stability and ionic conductivity of electrode materials and electrolytes. The chemical calculation software 'Gaussian' provides cutting-edge methods and technologies to support research and development. 【Application Scenarios】 - Molecular design of new battery materials - Structural optimization of electrode materials - Analysis of ionic conductivity of electrolytes - Evaluation of material stability 【Benefits of Implementation】 - Shortening of development cycles - Improved accuracy in predicting material properties - Reduction of experimental costs - Promotion of innovative battery material development
basic information
**Features** - High-speed processing through GPU-based parallel computing - High-precision calculations using new DFT functionals (such as M08HX, MN15) - Detailed analysis through anharmonic vibrational analysis (DCPT2, HDCPT2 methods) - Molecular orbital analysis supported by NBO7 - Flexible integration via Python interface **List of Functions** (Go to the HULinks page) https://www.hulinks.co.jp/software/gaussian/#function
Price information
□Request a Quote Here□ (Go to the Hyulinks page) https://www.hulinks.co.jp/software/gaussian/#price
Delivery Time
Model number/Brand name
Gaussian
Applications/Examples of results
There are numerous implementation results in university and corporate research departments. It operates not only on cluster servers and supercomputers but also in cases where it is implemented on desktop servers. □ Please take a look at the catalog □ - General-purpose quantum chemistry calculations / Pre-post programs 'Gaussian/GaussView' - Detailed version of Gaussian_GaussView
Line up（1）
| Model number | overview |
|---|---|
| GaussView 6 | https://www.hulinks.co.jp/software/gaussview/ |
catalog（2）
Download All Catalogs
Recommended products
Distributors
Even in a rapidly changing world, the philosophy of HuLinks has not changed since its founding. The greatness of humanity lies in our ability to think, create, and carve out a new tomorrow. We aim to contribute to society by providing carefully selected solutions that support this remarkable human ability—intellectual creation—while also offering a more comfortable environment and enhancing productivity.