The top student must be diligent

"I just want to see what he has come up with. It may be helpful in researching the materials. Of course, if he is wrong, then I will give him some guidance."

First is the summary.

[This article proposes a computational material model called Absolute Electronicity Calculation (AEC) to achieve more accurate predictions of material properties in complex systems. This model combines a variety of computational materials theories including density functional theory, first-principles calculations, etc., and introduces a new electron correlation processing method to more accurately describe the behavior of electrons in strongly correlated electronic systems.

Through testing on a series of typical materials (such as high-temperature superconductors, heavy fermion systems and topological insulators), we verified the high accuracy and reliability of AEC in calculating electronic band structure, state density and superconducting transition temperature. In particular, AEC was used to predict the properties of the high-temperature superconductor YBCO, and its superconducting energy gap and transition temperature were successfully predicted, showing its advantages in dealing with strongly correlated electronic systems.

This research provides a powerful tool for the theoretical study of complex electronic structure systems and is expected to have a profound impact on research in materials science and condensed matter physics. 】

After reading this summary, Bhargava showed a little surprise on his face: "Hey, it sounds like there is something interesting?"

"If you can accurately predict yttrium barium copper oxygen...Ali, don't you think this is already amazing?"

Yazdani frowned and said, "Let's take a look first. Whether his model is correct has not yet been verified."

Hearing his words, Bhargava smiled.

Obviously, Yazdani's words are an admission from another perspective that this model may indeed have something, if it can even achieve accurate predictions for YBCO as shown in the abstract.

The two stopped talking and continued to watch.

Of course, when he saw that it involved some materials science and more in-depth theories in physics, Bhargava stopped reading because he couldn't understand it.

After all, he is just a mathematician.

However, he was still quite surprised.

When did Xiao Yi master so much knowledge in these aspects?

In addition to his research in mathematics, he still has the energy to study these?

As for Yazdani next to him, he basically had his laptop placed in front of him.

Although he said he didn't believe it, he still looked at it seriously.

Time passed slowly.

Until finally, Yazdani raised his head with an incredible look on his face.

"This...this...this..."

"Do you believe it now?" Bhargava said.

"I..." Yazdani was speechless for a while.

After reading this paper, he was only shocked. Not to mention the mathematical techniques Xiao Yi showed in the process of introducing path integral and Markov chain Monte Carlo technology, that part of the content... to be honest He said he couldn't understand it either.

But based on the calculation results of the complex materials given by Xiao Yi later, he felt extremely incredible. All the error rates were within 10%. Is this a bit too outrageous?

Especially regarding high-temperature superconductors such as YBCO, it is even more...

"Could this thing even be used to study the mechanism of high-temperature superconductivity?"

He couldn't help but think about it.

It can't be data falsification. After all, he is also a top mathematical genius, so he should not be able to do such a thing.

Finally, he stood up and said: "Whether you believe it or not... I have to go back to the laboratory to verify it, so I won't be here with you for now."

"Go, go." Bhargava laughed: "Go and feel what true genius is! Now you can also experience how we mathematicians feel when we face Xiao Yi."

Chapter 150 The scientific world with frequent good news

Yazdani left without looking back, as if he had discovered a treasure map and was eager to verify its authenticity.

Looking at his appearance, Bhargava smiled, picked up the coffee in his hand and took a sip.

Well, it's time for scholars in other fields to experience what genius is.

…

Yazdani’s performance also happens to scholars in other related fields.

With the news of Xiao Yi's paper, everyone who studies materials or condensed matter physics began to get excited.

This paper is obviously a big deal for scholars in both fields.

As long as this absolute electronic calculation model is feasible, it is meaningful for the materials science community to study various new materials, and can even guide the research of new material synthesis methods; and for condensed matter physicists, it is not only able to It helps to study superconductors. Likewise, it is very helpful in revealing some hidden mechanisms in condensed matter physics, etc.

Ever since, almost more than 50% of scholars in these two fields have begun to study this new model.

Some scholars may be working on some very important topic and are willing to allocate time to study it. Some scholars even suspend their own topic and devote all their energy to it.

And there are many more scholars who have directly set up a project based on absolute electronic calculations and are ready to try their hand at it.

Then, good news began to spread frequently.

[We are from the Department of Materials, ETH Zurich. We have mainly tested the copper oxide high-temperature superconductor La2-xSrxCuO4 (LSCO), mainly using AEC to calculate the electronic band structure, state density and Fermi surface characteristics.

The final result is that AEC predicts the superconducting transition temperature and superconducting energy gap of LSCO at different doping concentrations. Calculation results show that when the doping concentration x=0.15, T_c reaches 35K, and the superconducting energy gap is 15 meV. Experimental measurements show that when x=0.15, the actual T_c of LSCO is about 36K, and the energy gap is about 14 meV. The deviations between AEC predictions and experimental results are within 5%.

When this result came out, our entire laboratory was shocked. We had never seen such an accurate computational material model. 】

[We are the Laboratory of Complex Materials Center of Princeton University. We focus on the topological insulator Bi2Se3, its surface state and spin-orbit coupling effect.

AEC predicts that the electronic band gap of Bi2Se3 is 0.35 eV, the surface state forms a Dirac cone at the Fermi level, and the spin splitting energy is 0.2eV; while experimental measurement results show that the actual band gap of Bi2Se3 is 0.34 eV, and the surface state The spin splitting energy is 0.19 eV, and the deviation between the AEC prediction results and the experimental data is within 3%.

Now our laboratory has decided that wherever computational materials science can be used in the future, as long as AEC can be used, AEC will be used. We have even planned to purchase another batch of servers. Although AEC is very demanding for computing resources. The requirements are not high, but I feel that I will use it to make predictions every three days in the future. 】

[...Iron-based high-temperature superconductor FeSe...The deviation between experimental data and calculation results is within 3%...]

[The heavy fermion compound CeCoIn5... can show obvious Kondo resonance state characteristics at low temperatures, and the deviation from the experiment is within 5%...]

…

Various experimental reports have been published, and the materials involved in each experimental report are quite complex. Almost all of them can be regarded as the most cutting-edge materials in contemporary materials science research, such as superconductors, Topological insulators, heavy fermion compounds, etc.

Because of this, absolute electronic calculations bring enough confidence to more and more materials scientists.

Even studying so many complex materials can provide such powerful accuracy, so if you use it to study relatively simple materials, wouldn't it be a direct kill?

The entire scientific community is becoming more and more lively.

…

UC Berkeley.

When Professor Paul Alivisatos stepped into his classroom, the classroom was already full of students.

As a strong contender for the Nobel Prize in Chemistry, his research in the fields of materials science and nanotechnology has always had a profound impact. It is precisely because of this that he is able to serve as executive vice president and provost at Berkeley. , in fact, a few years ago, he also served as the director of Lawrence Berkeley National Laboratory.

In addition, it is expected that after September this year, he will go to the University of Chicago to serve as president.

Probably because of these achievements and status, there is never a shortage of students attending each of his classes.

But what made him a little confused was that when he walked into the classroom, he saw that his students seemed to be discussing something.

"Ahem." He said, "Children, what are you discussing?"

The students turned around and noticed that their professor had entered the classroom.

However, as a Berkeley student, there is obviously no shortage of those who are more positive.

Soon someone stood up and asked: "Professor, what we are discussing is the recent paper, which is the absolute electronic calculation. Many people now believe that this method will have a profound impact on our materials science. We I’d like to know what you think?”

Hearing this question, Paul Alivisatos was startled, and then smiled happily: "I'm glad to hear that you have begun to pay attention to the cutting-edge results in the field of materials science."

"This shows me that you are really interested in materials science."

"Of course before answering your question, what I want to ask is what do you think?"

After hesitating for a moment, the student said: "I think it can indeed provide a lot of help to the research of materials science. After all, quite a few laboratories have expressed their optimism about this method."

"Are there any other opinions?" Paul Alivisatos glanced at the other students.

Soon another student stood up: "Professor, I don't think this method can bring much effect. It may be somewhat useful, but it will not be of decisive help, just like what you once taught us." Likewise, materials science is an experimental subject, so how can computer simulations replace the role of experiments? What’s more, its author is only a mathematician, not a materials scientist.”

Listening to the different opinions, Paul Alivisatos smiled and then said: "Very good, what you all said makes sense, so let's listen to my point of view."

"First of all, let me tell you the conclusion. I think absolute electronic calculation is indeed a new thing with subversive significance for materials science."

"Where is the subversiveness? It is that it may change our experimental habits in the future. Perhaps it will not be long before every laboratory research group will habitually use this method to help experiments when conducting research."

"You are right on this point, John." He glanced at the student who held an opposing opinion and said, "Materials science is an experimental science. This is an irrefutable fact. The materials calculated by computers will never become real, so absolute electronic calculation will not play a decisive role."

"However, as a scientist, we must be good at using a variety of tools, and we must use those good tools even more."

"Obviously, absolute electronic calculation is such a good tool. It can help our research get more and better results."

"Do you understand?"

Hearing the professor say this, the students present nodded thoughtfully: "I understand, professor!"

"Very good."

Paul Alivisatos smiled and nodded.

But in the end, he looked at John again and said, "Of course, John, I still want to express my objection to your last sentence."

"The author of the Absolute Electronicity Calculation is Xiao Yi, a talented mathematical genius and the prover of the Twin Prime Conjecture. You may have heard of him."

"In his paper, he used mathematical methods to link path integrals to the prediction of electronic behavior. At the same time, he also incorporated another method in probability theory, called Markov Chain Monte Carlo technology, into it. In addition, there are many advanced mathematical techniques. "

"These things can only be done if the mathematics is good enough."

"So, don't underestimate mathematicians, especially genius mathematicians like Xiao Yi. Although the pure mathematics they have studied cannot help us, if they want to study some applied mathematics, it may bring about the current effect."