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In this Software News, the authors introduce NTChem, a new comprehensive software package developed in Japan, for ab initio quantum chemistry calculations. It includes various high‐performance computational methods and functions for quantum molecular simulations. Furthermore, it is designed for high‐performance calculations on a computer with numerous compute nodes. Therefore, it makes optimum use of the K computer's processing power. This Software News specifically examines the parallel performance of NTChem on the K computer.
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Nakajima et al. (2014) studied this question.
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