As shown above, our algorithm has better accuracy than Voronoi sampling, but its initial implementation was several times slower, which could be unsuitable for screening applications in high-throughput workflows, where the number of structures to be screened can reach one million or more. To reduce the computational expense, we thought of rejecting the points with little contribution to the final enthalpy, i.e., the largely positive interaction energies that would vanish in the exponential of the Boltzmann average.