Fine-Tuning Approach for Simulating Organic Materials under Shockwaves

We present a fine-tuning approach to develop an accurate interatomic potential based on Chebyshev polynomials for simulating a reduced-sensitivity explosive under shock compression, starting from our previous model for an insensitive explosive. By adding only a few dozen training configurations, we obtain a reliable potential for the new system. Our model accurately predicts the structural properties and chemistry at both ambient and extreme conditions, showing good agreement with available quantum calculations. This method offers an efficient way to achieve highly accurate simulations of organic materials.