191 Chapter 191
"Professor, did you come here just to let us follow you..."

"Of course not. I just hope to give a little help to those who plan to stick to their original intentions. By the way, let me introduce our current research status."

"But to be honest, researching theory does suffer a lot more than researching applications. This is a fact, and there is nothing to refute."

"Professor, should those who study theoretical science suffer?" A student asked bluntly, with a trace of confusion in his eyes. Obviously, this question has troubled him for a very long time.

"I can only say that there is nothing in the world that should or shouldn't be. Only what is the reality, we can only accept what it is. Or if you have enough ability, you can find a way to change this status quo. "Wang Feng said after a little thought.

"However, as far as I am concerned, I don't think that those who engage in theory should suffer." Wang Feng expressed his personal opinion: "It is indeed easier to gain the favor of others, after all, the wealth they create is seen It can be seen. But the staff who research the theory may be relatively annoying, after all, in their view, you can't create any value at all, and you spend a lot of money."

"You can't expect most people to understand science. They don't know theory. Science is the basis of all applied scientific breakthroughs. Without breakthroughs in theoretical science, applications cannot be discussed."

"You have to understand these things before you decide to invest in this line of business." Wang Feng acted on his duty as a responsible teacher, and he had to make these things clear: "Of course, this is just my family's opinion, maybe Not that convincing."

"At present, it is difficult for me to change this status quo. I can only do my best, as I said before, not to make those who do theoretical research suffer, and to provide them with a more decent job, while at the same time A job that doesn’t lack money.”

"There may be no way to be rich, but in the capital, there is no need to worry about food and drink, and there is a place to stay. If I have a child in the future, I can let her go to school nearby... I can still do this."

"At the same time, I also hope that if you have the ability to do the same thing in the future, you must lend a helping hand to pass on this spirit."

"After all, whether we want to admit it or not, we must know the development of science. The progress of society is inseparable from breakthroughs in theoretical science."

"Of course, you don't have to pay too much attention to what I say. After all, it is more important to do something more practical than to move your mouth. After 2~3 months, I may set up some bonuses for theoretical scientific research , when the time comes you will be able to see what my truest thoughts are, and I hope this will be helpful to you.”

"Teacher, I probably understand." This answer may not solve the doubts in his heart, but it should provide him with some valuable references.

"Okay, let's get back to business. We just talked about some problems in the development of computational chemistry. Now we can talk about its prospects and some of the advantages we currently have."

"First of all, I don't need to say too much about this prospect. I believe everyone is very familiar with it."

"Currently, the chemical community still uses experiments as the main means to develop new materials, new consumables, new drugs, etc... Everyone should be very clear that every achievement we have achieved in these areas is basically a rejection of Huge sums of money were made through experiment after experiment.”

"This not only greatly consumes our manpower and material resources, but also causes a surge in costs, which means that our achievements cannot benefit all mankind."

"This is probably why everyone knows that the theory of computational chemistry is not mature, but they are still willing to cooperate with the research team, hoping to get a little inspiration or direction."

"After all, with just this little bit of inspiration or direction, the human and material resources that can be saved are extremely exaggerated."

"I think everyone should be able to see what a prospect it is from here."

"Teacher, his prospects are so good, so why is it still not a very popular research topic?" Some students asked curiously. They are naturally not ordinary students who are able to sit here. Each of them has a very independent thinking skills and thinking habits.

"This sentence, the classmate asked the point."

The difference between computational chemistry and computer chemistry is that computational chemistry is a discipline that solves chemical problems through calculations based on first principles.The first principles here include: quantum mechanics, classical mechanics, statistical mechanics, etc.

The Royal Swedish Academy of Sciences awarded the 1998 Nobel Prize in Chemistry to British scientist John A Pople and American scientist Walter Kohn.Among them, John A Pople developed quantum chemical calculation methods, the most famous of which is Gaussian (Gaussian) software; Walter Kohn established density functional theory.

The three basic approximations for ab initio calculations are: non-relativistic approximation, Born-Oppenheimer approximation, single electron approximation or orbital approximation.The non-relativistic approximation and the one-electron approximation make the calculated energy higher than the real energy of the system, while the Born-Oppenheimer approximation makes the calculated energy lower than the real energy of the system.As the atomic number increases, the proportion of non-relativistic effects in the total energy increases, while the proportion of correlated effects (produced by the single-electron approximation) decreases relatively.

"It involves quite a lot of basic mathematics knowledge, as well as basic physics knowledge, which requires everyone to have a very solid research foundation in these two subjects."

"It is difficult to rely on manpower to apply so much mathematics and physics knowledge and data calculations. In this regard, we must rely on the power of computers."

"In the past half a century, our computers have developed very rapidly. With the continuous development of the semiconductor industry, our computers have become more and more powerful. Compared with when computational chemistry first appeared, it can be described as a world of difference. .”

"This is a very advantageous place for our modern study of computational chemistry."

"Teacher, I learned theoretical calculations halfway through, because my master's direction is the study of the mechanism of luminescent materials... I'm not particularly a monk, but this learning path is still very tortuous and slow, and I need to bear great psychological pressure and the cold eyes of people around me. And doubt, should I stick to it?"

A haggard-eyed boy stood up and asked, after confirming the hairline, it was the hairline of a Ph.D. in Materials Science.

Everyone: I don’t want to say anything anymore, Daniel’s class is really hard to do... I will think twice in the future.

(End of this chapter)

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