Quantum computing, an innovative computing system carrying prominent
processing rate, is meant to be the solutions to problems in many fields. Among
these realms, the most intuitive application is to help chemical researchers
correctly de-scribe strong correlation and complex systems, which are the great
challenge in current chemistry simulation. In this paper, we will present a
standalone quantum simulation tool for chemistry, ChemiQ, which is designed to
assist people carry out chemical research or molecular calculation on real or
virtual quantum computers. Under the idea of modular programming in C++
language, the software is designed as a full-stack tool without third-party
physics or chemistry application packages. It provides services as follow:
visually construct molecular structure, quickly simulate ground-state energy,
scan molecular potential energy curve by distance or angle, study chemical
reaction, and return calculation results graphically after analysis.Comment: software,7 pages, 5 figure