Clarification of Reaction Mechanisms for Chemical Reactions 'CrystalMaker'
Visualize crystal structures and molecular structures to understand reactions.
In the study of chemical reactions, understanding the mechanisms of reactions and exploring efficient reaction conditions is important. In particular, it is necessary to visualize and analyze in detail the effects of crystal structures and molecular structures on reactions. CrystalMaker serves as a powerful tool for deepening the understanding of reactions by efficiently constructing and visualizing crystal and molecular structures. Through an interactive interface, users can manipulate structures and build models to understand complex material structures. This aids in the simulation of reactions and the optimization of reaction conditions. 【Use Cases】 - Elucidation of reaction mechanisms - Optimization of reaction conditions - Development of new materials 【Effects of Implementation】 - Enhanced understanding through visualization of reaction processes - Realization of efficient research and development - Improvement of research outcomes
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**Features** - Dynamic operations and animation creation that go beyond traditional crystallography software - Energy minimization and property prediction of crystal structures using energy modeling tools - Modeling, relaxation, and calculation of vibrational modes of molecular structures - Field-specific structure library with the accompanying CrystalViewer - Simulation of powder X-ray diffraction and single crystal diffraction patterns **Our Strengths** Even in a rapidly changing world, we provide products that support intellectual creation and contribute to improved comfort and productivity. We support our customers' research activities through the sale and support of research and development software.
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Force field approach using DFT-calibrated parameterized potentials: You can leverage all the benefits of DFT in real-time on your laptop, even for large systems. Smart selection of potentials based on bonding environments: No additional user input is required. Monte Carlo method: Structures that are far from equilibrium, such as those with excessively long bond lengths or significantly distorted bond angles created by hand, can be relaxed. Addition of hybrid least-squares cycles: Improves the accuracy of the final stage of refinement. Energy output: You can display the process and results of the refinement cycles in graphic format using menu commands. Calculation of vibrational modes: Vibrational frequencies of crystals (phonons) and molecules. For molecules, infrared spectra can be simulated.
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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.