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Material Structure Visualization 'CrystalMaker' for the Energy Sector

Visualizing crystal structures and molecular structures to support energy efficiency.

In the energy sector, understanding the structure of materials is essential for the development of new materials and the improvement of existing ones. In particular, detailed analysis of crystal structures and molecular structures is required to grasp the properties of materials that influence energy efficiency. CrystalMaker efficiently visualizes these structures and accelerates research and development through property predictions using energy modeling tools. [Use Cases] - Development of new energy materials - Performance improvement of existing materials - Exploration of energy-efficient substances [Benefits of Implementation] - Enhanced understanding through visualization of material structures - Property predictions through energy modeling - Increased efficiency in research and development

Related Link - https://www.hulinks.co.jp/software/crystal/c-maker

basic information

**Features** - Dynamic operations and animations that go beyond traditional crystallography software - Energy minimization and property prediction of crystal structures using energy modeling tools - Modeling of molecular structures and calculation of relaxation and vibration modes - CrystalViewer equipped with field-specific structure libraries - Simulation of powder and single crystal diffraction patterns **Our Strengths** Even in a rapidly changing world, we support intellectual creation and aim to improve comfort and productivity. We contribute to solving our customers' challenges through the sale and support of research and development software.

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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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Visualizing crystal structures and molecular structures 'CrystalMaker'

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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.