AbstractQuantum computers provide a promising method to study the dynamics of many‐body systems beyond classical simulation. On the other hand, the analytical methods developed and results obtained from the integrable systems provide deep insights on the many‐body system. Quantum simulation of the integrable system not only provides a valid benchmark for quantum computers but is also the first step in studying integrable‐breaking systems. The building block for the simulation of an integrable system is the Yang–Baxter gate. It is vital to know how to optimally realize the Yang–Baxter gates on quantum computers. Based on the geometric picture of the Yang–Baxter gates, the optimal realizations of two types of Yang–Baxter gates with a minimal number of controlled NOT (CNOT) or gates are presented. It is also shown how to systematically realize the Yang–Baxter gates via the pulse control. The different realizations on IBM quantum computers are tested and compared. It is found that the pulse realizations of the Yang–Baxter gates always have a higher gate fidelity compared to the optimal CNOT or realizations. On the basis of the above optimal realizations, the simulation of the Yang–Baxter equation on quantum computers is demonstrated. These results provide a guideline and standard for further experimental studies based on the Yang–Baxter gate.