<![CDATA[Enhancing Students’ Chemical Representation Skills Through Molecular Dynamics Simulation-Based Discovery Learning. Objectives: This study aimed to investigate the effectiveness of a discovery learning model integrated with molecular dynamics (MD) simulations in enhancing high school students' chemical representation skills. It specifically sought to determine the difference in skill improvement between students engaged in the simulation-based discovery learning environment and those receiving conventional instruction. This research addopted a quasi-experimental study using a non-equivalent control group pretest-posttest design was conducted with 72 eleventh-grade students from a public high school. The experimental group (n = 36) participated in a discovery learning module featuring interactive MD simulations, while the control group (n = 36) followed the standard curriculum using conventional teaching methods. The primary instrument was the Chemical Representation Skills Test (CRST), which was content-validated and demonstrated high reliability (Cronbach’s α = 0.88). Data were analyzed using descriptive statistics, independent samples t-test, and normalized gain (N-gain) scores. The results revealed a statistically significant difference in the posttest scores between the two groups (p < 0.05). The experimental group demonstrated substantially greater improvement in chemical representation skills, achieving a high average N-gain score of 0.72, compared to the control group's medium N-gain score of 0.45. Analysis of sub-skills revealed that the most significant gains for the experimental group were observed at the sub-microscopic and symbolic representation levels. The integration of molecular dynamics simulations within a discovery learning framework is highly effective for improving students' chemical representation skills. This approach provides a powerful pedagogical tool to bridge the gap between abstract chemical concepts and concrete, dynamic visualizations, thereby fostering a deeper and more integrated understanding of chemistry]]>
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