Chemical calculation software / Capable of predicting non-equilibrium quantum transport of nanostructures including current-voltage characteristics of nanoscale devices.
There are many modules for arranging solvent water molecules and neutralizing the system! It is also possible to refine NMR structures.
New modeling performance of TD-DFT analysis, such as second derivatives! Computational performance and usability have been enhanced.
By adopting a coarse-grained model and a four-body potential, we significantly reduce computational costs and achieve fast evaluations.
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.
Chemical calculation software / Optimized to obtain high-precision large-scale DFT solutions, covering all functionalities.
Create practically meaningful and stable conformational isomers! Achieve efficient conformational space exploration.
Q-Chem: The Driving Force of Technological Innovation
[L'Oréal Case] Molecular Dynamics and Coarse-Grained Simulations to Facilitate the Formulation Design of Eco-Friendly Cosmetics
[Japanese Flyer] Overview of Computational Chemistry Platform for Life Sciences, Drug Discovery, and Biotechnology
Analysis services using quantum chemistry calculations! We propose suitable plans tailored to the properties and applications you want to explore.
Effective for predicting the vapor pressure of metal complexes used as precursors in ALD and CVD!
Quickly identify relevant patents and literature by searching a large database of 256M substances using chemical structure formulas and CAS numbers.
HPC for those conducting material property prediction and analysis, as well as chemical reaction analysis, using quantum chemistry calculation software.