![]() As I have not been in contact with matter modeling for many years, I would like a suggestion from the community so as not to have to break my promise, honoring my late advisor. Long story short, recently I am considering returning to computational chemistry studies and I am not aware of software that can replace Gaussian. By that time, I had just left the academic world, but in any case I promised myself that I would not use Gaussian software anymore. However, he deeply regretted doubting the anonymous community of scientists who created. At the time he was already retiring and was not too worried (he died in 2018). A few months later, he was surprised to receive a notification (when it was time to renew the license, if I remember correctly) that both he and his coworkers were no longer allowed to use Gaussian. He didn't care much about it, said it was possibly a hoax and openly defied Gaussian's licensing terms because he thought he would not be punished and that the scientists who created the anonymous website were just disseminators of fake news.Įventually came the day when my advisor published an article in which he compared the computational efficiency of Spartan with that of Gaussian in simulating a PAH he was studying. regarding the banning of researchers involved in the development of competing software (there is a very famous paper in Nature about that). ![]() When I started studying computational chemistry ( circa 2007), my supervisor used to tell me about the controversy surrounding Gaussian, Inc. ![]()
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