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寒雨人生

铁杆木虫 (知名作家)

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注册: 2009-04-17
专业: 计算机软件

[交流] My belief

My attention has been drawn to Quantum Chemistry for quite a long time. Ever since the first semester of my senior year when a book on the famous quantum chemistry software package named GAUSSIAN came to me, I have been so fascinated with this absolutely amazing technology which can easily bring us the understanding of electron behavior and therefore make a mathematical approach towards the molecular properties totally nonchemically. This is indeed fantastic! However, what I mean here by saying ‘easily’ is just objectively referring to the sundry and also somewhat guideless experiment during the research process in chemistry labs. Obviously, the powerful tools developed through the combination of physics and chemistry prospectively offers us a promising solution towards our understanding to the chemical behaviors of different molecules. Although all the above-mentioned facts seem to be very attractive, scientists now have got their difficulties in solving the extremely computation-intensive equations which are the keys to this approach. However, thanks to the rapid development in computer science and computational methods, we are now able to solve many of the calculation problems using the technology to some acceptable accuracy. And this is where my interest and belief lie.

Actually, to achieve an understanding in this field is not an easy job. At least it is not easy for those who has never involved with so much physics, mathematics and computer science, which, in my experience, are the basic requests from the subject. People who only know some jargons and without any better understanding of the theoretical methods behind the computational packages would hardly do jobs correctly with efficiency and never will they be expected to make any progress in developing new approaches towards more complicated problems. Therefore, what I conceive in mind is I should gain some knowledge from these fields. But the task is huge! It is sure a long way through all possible difficulties. However, I like it indeed.

[ Last edited by 寒雨人生 on 2012-4-19 at 18:09 ]

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