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This study tested whether exploring with simulations before instruction offers the conceptual benefits of “productive failure,” compared to a more traditional lecture-then-practice method. Undergraduate students (N=218) in introductory chemistry courses completed an activity using an online simulation about atomic structure. Students either completed the simulation activity before (explore-first condition) or after (instruct-first condition) a lecture on the topic. Students in both conditions scored equally on an assessment of basic facts taught in the instruction. However, students in the explore-first condition scored significantly higher on assessments of conceptual understanding and transfer to a new concept, compared to students in the instruct-first condition. Students in the explore-first condition also reported experiencing greater competence and curiosity during the learning activities. A guided simulation activity prior to instruction can have both motivational benefits and deepen students’ understanding.