Chemical calculation software / General-purpose quantum chemistry calculation program 'Gaussian'
Providing cutting-edge methods and technologies for electronic state calculations and computational chemistry models across a wide range of fields, including chemistry, biochemistry, and physics.
Gaussian 16 is the latest version of the Gaussian series of electronic structure programs. It provides cutting-edge methods and techniques for electronic state calculations and computational chemistry models for researchers in a wide range of scientific fields, including chemistry, biochemistry, and physics. There is a diverse range of available platforms, and all computational chemistry functionalities can be used on any of these platforms. 【Features】 ■ GPU-based parallel computing ■ New DFT functionals (M08HX, MN15, MN15L, PW6B95, PW6B95D3) ■ Non-harmonic vibrational analysis methods such as DCPT2 and HDCPT2 ■ Supports NBO7 ■ Python interface
- Company：ヒューリンクス
- Price：Other
