Efficient implementation of gaussian process regression accelerated saddle po...
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The task of locating first order saddle points on high-dimensional surfaces describing the variation of energy as a function of atomic coordinates is an essential step for...
在描述能量随原子坐标变化规律的高维曲面上定位一阶鞍点（first order saddle points）的任务，是……的必要步骤
