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Скачать или смотреть Molecular Dynamics: a set of Ammonia molecules without periodic boundary conditions at 200 Kelvin.

  • Jesús Sánchez-Márquez
  • 2025-10-12
  • 531
Molecular Dynamics: a set of Ammonia molecules without periodic boundary conditions at 200 Kelvin.
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Описание к видео Molecular Dynamics: a set of Ammonia molecules without periodic boundary conditions at 200 Kelvin.

Title of the Teaching Innovation Project: Use of Virtual Reality Technologies as a Tool to Improve Teaching in Science Degrees.

(sol-202500299605-tra / https://udinnovacion.uca.es/convocato...)

Project Summary:

Nowadays, the incorporation of new technologies in education is undeniable, although their indiscriminate use can affect educational quality; therefore, their application must be guided by clear objectives. In science teaching, one of the main challenges lies in understanding abstract concepts that require strong spatial vision, a skill not always well developed among students. A common issue encountered in the classroom is the lack of effective methods for representing molecular models and crystalline structures, especially in very large systems such as gases, solutes in solution, crystalline or amorphous solids, etc. Virtual Reality (VR) represents a significant advancement by enabling immersive interaction with complex molecular models, thereby improving the understanding of their structure and behavior. In the subject Chemistry I of the Chemistry Degree, VR is proposed to address the topics of gases and solutions, supporting the assimilation of abstract content. Educational experiences will be designed using cardboard VR headsets, integrated into theoretical sessions, with the aid of software such as Chem3D, HyperChem, and Gaussian. Previous projects carried out in Physical Chemistry courses have demonstrated the success of this approach. The ultimate goal is to promote teaching innovation, enhance learning outcomes, and foster educational excellence at the University of Cádiz.

Objectives and Planned Activities:

৹ Preparation, design, and development of Virtual Reality (VR) experiences. The simulations and molecular dynamics that serve as the basis for immersive activities will be generated using computational software such as Chem3D v16.0.0.82 (2016), HyperChem 7.5, and Gaussian 16W (for ab-initio calculations). Molecular dynamics will be calculated employing the MMFF94 and/or OPLS force fields.

৹ Implementation of VR technologies in the teaching of the subject Chemistry I within the Bachelor’s Degree in Chemistry. Students will “immerse” themselves in the prepared VR experiences using “Cardboard”-type glasses combined with their smartphones during class sessions.

৹ Observation in VR of matter at the molecular level, focusing on concepts covered in topics 6 and 7 of the syllabus. Students will access the VR experience through a URL (via QR code) on their mobile phones, at the time and in the manner indicated by the instructor. The immersive activity will begin from that moment.

৹ Improved comprehension of the most challenging concepts for students. To ensure better understanding of what students observe during the VR experience, the instructor will provide the necessary explanations either beforehand or during the “immersion.”

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#virtualreality #Workshop #VR #Classroom #moleculardynamics #insilico #ammonia

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