NTChem: A high‐performance software package for quantum molecular simulation

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. © 2014 Wiley Periodicals, Inc.

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