Visualizing crystal structures and molecular structures to contribute to the analysis of pollutants.
In the field of environmental science, particularly in the analysis of pollutants, it is essential to accurately understand the structure of substances. Detailed structural analysis at the molecular level is required for the identification of pollutants, prediction of their behavior, and formulation of countermeasures. CrystalMaker supports the resolution of these challenges by visualizing crystal and molecular structures. 【Application Scenarios】 - Structural analysis of pollutants in soil and water quality - Structural analysis of particulate matter in the atmosphere - Elucidation of the interactions between pollutants and the environment 【Effects of Implementation】 - Improved accuracy in the identification and behavior prediction of pollutants - Formulation of effective environmental measures - Promotion of visualization and sharing of research results
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【Features】 - Dynamic manipulation of crystal structures and animation creation - Structure optimization and property prediction through energy modeling - Molecular structure modeling and vibrational mode calculations - Rapid structure reference using field-specific structure libraries - Simulation of powder X-ray diffraction patterns 【Our Strengths】 We support intellectual creation and aim to enhance comfort and productivity. We assist our customers' research activities through the sale and support of research and development software.
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P3
Delivery Time
P3
Applications/Examples of results
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.
