Replacing Chemical Intuition by Machine {Learning|Studying|Understanding|Finding out|Mastering}: a Mixed {Design|Style|Design and style} of Experiments – Reinforcement {Learning|Studying|Understanding|Finding out|Mastering} {Approach|Method|Strategy} {to the|towards the|for the} {Construction|Building} of {Training|Coaching|Instruction|Education} Sets for Model Hamiltonians

Model Hamiltonians {based on|according to|depending on|determined by} the so-called cluster expansion (CE), which consist of a linear {fit|match} of parameters corresponding to geometric patterns, {provide|offer|supply|give|present|deliver} an {efficient|effective} and rigorous {means|indicates|implies|signifies|suggests}…