In the villa at the foot of the Purple Mountain, Xu Chuan tidied up the messy desk in front of him and took out a new stack of manuscript paper.

Indecision, quantum mechanics.

Although this sentence was used by netizens on the Internet to ridicule those uncertain things, at this moment, it really gave him a new research direction and breakthrough.

Quantum Chemistry!

It is a new research direction he has set for the computational model of chemical materials.

This is not a sudden idea, but a judgment made after careful consideration.

In fact, quantum chemistry was proposed very early, in the thirties of the twentieth century, after quantum mechanics initially matured, this discipline was derived.

When the famous theoretical physicists 'Heitler' and 'F. London' discussed the structure of hydrogen molecules with the basic principles of quantum mechanics, they first used quantum mechanics to deal with hydrogen molecules and explained the essence of the valence bond of hydrogen molecules, thus providing a theoretical basis for the valence bond theory of chemical bonds and creating the discipline of quantum chemistry.

However, compared with quantum mechanics, the development of quantum chemistry has been relatively slow.

Since it was proposed in the thirties of the last century, many physicists and chemists have established major achievements around it, such as molecular orbital theory, coordination field theory, and quantum chemistry theory of intermolecular interaction.

But until now, quantum chemistry has only been able to calculate systems with small atomic numbers, such as hydrogen molecules, simple materials such as lithium hydride (Lih) and beryllium hydride.

For a system with a large number of atoms, the computation time can be said to increase exponentially under the same computational conditions.

Because the biggest challenge in simulating molecules is calculating the basic energy state of the compound, i.e., the interaction between the nuclei of each electron in each atom and all other atoms must be modeled.

This interaction follows the principles of quantum mechanics at the microscopic level, complex and grandiose.

Therefore, for traditional supercomputers, simulating the molecular structure of these quantum properties not only consumes a lot of energy, but also becomes more difficult to simulate as the number of atoms in the molecule increases.

If it's hard to understand this, put it in the simplest terms.

That is, if the number of calculations of a molecule is 11, then if it is increased to two molecules, the number of calculations will increase to 22, and if it is increased to three molecules, the number of calculations will increase to 33.......

By analogy, the number of calculations for complex macromolecules increases dramatically to the point that even a supercomputer cannot handle them.

This is also the reason why the current development of quantum chemistry is slow, and with the current computing power, it is difficult to support its calculation and development in various computational theories of current quantum chemistry.

Of course, with such a big disadvantage, its advantages will naturally not be small.

First of all, the calculation of quantum chemistry is based on quantum mechanics to solve the Schrödinger equation of molecules, which theoretically does not require parameters other than fundamental constants and is universal.

Second, it can study electron transfer and optimization in chemical reactions, as well as predict the excited state and UV absorption electron spectra of simulated molecules.

These are all things that cannot be done or are difficult to do with traditional chemistry.

Otherwise, quantum chemistry would not be hailed by Nature as the most promising application area for quantum computers.

What Xu Chuan wants to do is to establish a theory of the connection between microscopic theoretical calculations and mesoscopic and even macroscopic physical phenomena in a non-empirical way within the overall framework of materials science.

This is the real heart of the chemical computational material model!

If it can be done, it will completely change the entire astronomical community (chemistry) for the chemical community, just like the xu-eyl-berry theorem!

......

After listing the direction and phased work plan for the study of quantum chemistry on the manuscript paper, Xu Chuan turned on the computer and connected to the small supercomputer built for him in the villa.

In the artificial SEI film, lithium-ion batteries, lithium-sulfur batteries related to the real

After downloading the test data, he hung his notebook on the Internet and searched for papers related to quantum chemistry and computational materials science from major journals.

It is quite difficult to re-establish the underlying mathematical logic and theoretical basis for the computational model of chemical materials.

Even he didn't dare to say that he would be able to do it.

Because from his point of view, this is an attempt to solve the problem of the century in order to build a set of accurate, valid and universally applicable computational models for chemistry.

But Rome wasn't built in a day, and a chemical edifice wasn't built in a short period of time.

But the more challenging the content, the more it will spark his interest.

In life, you always have to do something that interests you, even if it is to spend countless time and energy for it, as long as you can reap some results.

But before that, he needs two more helpers to help him solve some preliminary work!

.......

After handling the preparations, Xu Chuan returned to the campus of NTU after a long absence.

In the office, Lu Ling, the assistant of the TV series who was bored, suddenly felt that she was enveloped in a shadow.

At the same time, a familiar voice with a smile sounded in my ears.

"Where's the show?"

Hearing the voice, Lu Ling looked up and saw that the whole person was there on the spot: "Teach.... Professor, why are you here?"

Hearing this somewhat 'strange' question, Xu Chuan smiled and said, "This seems to be my office, right? I can't come?"

Lu Ling shook her head violently: "No, I didn't mean that."

"I mean, how did you get here.... Ahem, I mean, you've got all the research questions in your hands solved?"

asked in a daze, seeing Xu Chuan's eyes fall on the tablet in his hand, Lu Ling's face turned red, and she quickly pressed the button, turned off the tablet, and covered it on the desk, full of embarrassment under her round-framed glasses.

"Professor...... I'm sorry...... I ......"

Lu Ling stammered, wanting to explain but unable to speak.

Completely different from the daily work of other professors' assistants in the school, Xu Chuan, who she and Tang Ran are responsible for, often does not come to the school for a month or two, or even longer.

So much so that in addition to those daily tasks, they have a lot of free time to do.

Coupled with the leisurely working environment, watching dramas has become her daily way to relieve boredom.

But no matter what, it is simply embarrassing to be caught red-handed by the boss during the daily work of fishing.

Xu Chuan didn't care too much, it was normal to touch fish during work.

Of course, this is also related to the fact that he hasn't come to school for a while recently, after all, if he doesn't come, Tang Ran and Lu Ling won't have much work in their daily lives.

Shaking his head with a smile, Xu Chuan said, "Okay, it's just a drama when you're bored, and it's not a big deal, just don't affect your normal work."

After a pause, he then ordered, "Help me contact Ding Rui and Professor Gu Bing, and if they are okay without class, please invite them to come to my office."

Lu Ling breathed a sigh of relief, a hanging heart finally fell, and quickly replied, "I'll contact you."

.......

After a while, Ding Rui took the lead in rushing over from the campus.

"Professor, you're finally back!"

Looking at the familiar and unfamiliar figure in front of him, Ding Rui's tears of emotion were about to fall.

He finally profoundly understood what the senior brother Cai Peng meant when he said that "not seeing the mentor for half a month is not a thing at all" after the apprenticeship was introduced two years ago!

Since they came under the name of this famous professor, they are almost the same as cattle and horses on the prairie, and they are purely free-range.

At first, it was okay, maybe I had just finished the project in hand, and I could often see the professor in school.

But with the work in the field of astronautics

At the longest time, they hadn't even seen a professor on campus for nearly half a year.

Looking at the surprised students in front of him, it would be Xu Chuan's turn to be a little embarrassed.

Because of his research, he has been free-roaming these four students for at least two months.

"Ahem~"

Coughing lightly, Xu Chuan said, "I remember that your study direction during your master's and doctoral studies seems to be functional analysis, right?"

Ding Rui, the oldest of the four students he accepted, received an offer from the Department of Mathematics at Cambridge University before, but when he was recruited at NTU, he decisively gave up the admission to Cambridge University and joined him instead.

On the other side, Ding Rui's eyes were about to flash with tears, and the professor still remembered the direction of his study, which was a surprise!

Nodding his head like a chicken pecking rice, he quickly replied, "Yes, Professor, my master's and doctoral studies are in functional analysis."

Xu Chuan nodded and said, "If that's the case, are you willing to follow me to learn and study computational materials?"

"Computational Materials?"

Ding Rui looked at him in some surprise, Xu Chuan nodded, and continued, "Yes, I have a research project in progress and need help. If you'd like, you can turn around and follow me through on this."

After a pause, he continued, "Of course, if you don't want to, you don't ......"

Before he finished speaking, Ding Rui on the other side immediately said excitedly, "I am willing! Professor! I do!"

"Ahem~" Xu Chuan coughed lightly and asked, "Don't you even ask what the project is?"

Ding Rui quickly replied, "It doesn't matter, it doesn't matter what the project is, as long as you can learn from the professor."

He is not stupid, he can follow Xu Chuan to do the project together, although he clearly knows that he is most likely a miscellaneous person in the project, but this is an opportunity that others can't ask for if they worship the Buddha and make a wish 10,000 times.

It doesn't matter what kind of project he is, he should come down first.

Even if it's hard and tired, what does it matter, as long as you don't sell him to northern Myanmar to get a waist, everything is easy to say!

Xu Chuan coughed lightly and said, "If you follow me to study and research this project, I'm afraid your graduation will be delayed a lot, so I suggest you think carefully before making a decision."

After a slight pause, he took out a piece of manuscript paper from the backpack he was carrying, handed it over, and continued, "In addition, if you participate in my research, then you need to learn more about it in addition to the functional analysis you originally studied."

"And if you get started, I'm afraid you won't have a lot of time, at most two months, you have to at least read all the books and papers listed above."

Ding Rui took the manuscript paper and immediately gasped.

Introduction to Quantum Chemistry

Fundamentals of Quantum Chemistry

Molecular Quantum Mechanics

《.....》

Nanoscale Computational Simulation of Materials Science: Fundamentals

《.......》

On the manuscript paper, there are more than a dozen textbooks and more than double-digit papers.

Looking at these names, even if he usually brushes questions and papers like eating and drinking, he can't help but feel a tingling in his scalp.

On the other side, looking at the elementary school students whose scalps were numb and couldn't stop swallowing their saliva, Xu Chuan smiled and said, "Don't be in such a hurry to give me the answer, you can find two textbooks and papers to see if you are interested in this."

Smiled and patted Ding Rui's shoulder, he staggered the other party, walked behind the desk, turned on the computer, and connected to the small supercomputer built for him in the Purple Mountain Villa.

Some of the materials and experimental data he had prepared last night were transferred.

Teaching Ding Rui in the field of chemical materials computing was something he thought of last night.

In terms of physical computing, there is Amelia, who has already graduated, to inherit his mantle. And chemistry

In terms of calculations, among the four students admitted later, if you want to consider it, Ding Rui is probably the only choice.

During his master's and doctoral studies, he studied functional analysis, which is one of the mathematical foundations of computational materials science.

It is appropriate to switch from functional analysis to quantum chemistry, or to minor in quantum chemistry.

Of course, whether he has this talent or not depends on himself.

After all, not everyone is able to major in one major while still having enough energy and talent to minor in another.

As for the other Gu Bing, Xu Chuan did not think of letting him inherit the knowledge of chemical calculation, but invited him to come over and participate in the revision and optimization of the underlying logic and theory of the 'computational model of chemical materials).

If Amelia hadn't left to work as a professor of mathematics at Princeton, the job would have been more suitable for her.

After all, the Bloch conjecture itself is the basis of material computing.

However, as an auxiliary, Gu Bing, who also solved Bloch's conjecture, was enough in terms of ability.

Free to read.