The so-called computational materials science does not come out of nowhere.

Even Lu Zhou could not calculate what material should be used for the molecular exchange membrane of lithium-air batteries just by relying on a piece of paper.

The correct posture to solve the problem using computational materials science methods should be to find one of the feasible entry points through experimental problems, establish a mathematical model for it, and then use the powerful computing power of computers to study the motion of each molecule from multiple scales such as nanoscopic, microscopic, and mesoscopic, and then deduce the macroscopic performance of the research object.

Fortunately, Yang Xu and the others have accumulated enough data.

Combined with the inspiration brought to him by Wreckage No. 1, it is equivalent to already knowing part of the answer, and then using the experimental data in his hand to calculate the remaining 70% of the answers.

In this way, the difficulty of facing this problem is actually much lower than others.

Engrossed in concentrating on the current problem, Lu Zhou meticulously retrieved the experimental data stored in the database through the computer, and at the same time transformed the data into the language of mathematics, using the theory of computational materials science to weave these fragmented clues into an open web.

Everything went so smoothly.

It's as easy as breathing.

Although he hadn't been working on materials science for some time since controlled fusion engineering, these things were not new to him.

After all, the theoretical model of the electrochemical interface structure, which is popular in the entire theoretical chemistry and materials science circles, was made by him.

And it was this theory that won him the Hoffmann Medal and the Nobel Prize in Chemistry.

It's not that he's bragging, if even he can't solve this problem, I'm afraid no one in this world can solve it.

The tip of the pen fluttered between the index fingers on the paper, and rows of neat numbers and operators were printed on the scratch paper like clouds, like galloping cavalry, all the way to the mysterious territory that no one knew.

[...... can be obtained by introducing the Hartree equation]

【{pi2/2m+V（ri）+1/4πε0∑∫drf|Ψj（rj）|2e2/|ri-rj|} Ψi（ri）=EiΨi（ri）】

【……】

Lu Zhou, who has completely entered the state, has completely blocked all interference from the outside world.

The deep pupils seemed to be connected to a piece of the universe, and the mind condensed at the tip of his pen was like a sharp blade that sharpened iron like clay, cutting the shackles that blocked him from reaching the end to pieces......

"There is no need to explain and describe the wave function of the system for the motion of each particle."

"Just try to find the spatial wave function of the particle density with only 3 variables......"

“…… When all the particles in the system can be calculated, the physical properties of the material can be expected! ”

“…… It's been a long time since I've had this fun! ”

With the last sigh, the turbidity in the chest was spit out, and the last line of calculations brewed in the pen also fell the last character.

The results are in.

The sky outside the window, I don't know when, turned from night to day.

The pen in his hand stopped, looking at the morning dusk that had been lit up outside the window, Lu Zhou gently breathed a breath of fresh air outside the window.

The breeze mixed with the fragrance of morning dew was blowing slowly, and at this moment, he only felt that every pore on his body was unprecedentedly comfortable.

After stretching comfortably, feeling the tiredness that gradually crept up to his brain because of staying up late, Lu Zhou reached out and pinched his eyebrows, and then extracted a bottle of energy potion from the system space, unscrewed it and drank it in one gulp.

The cold liquid slid down his throat, and the cool feeling of washing away fatigue on his brain suddenly made him feel excited.

At the same time, the tiredness and dark eye bags accumulated from staying up late have also faded with the cool feeling that rushed to the brain.

"The technology of the future is a good thing."

Looking at the small empty bottle in his hand, Lu Zhou couldn't help but sigh with emotion.

"If only I had a chance to see it one day......"

I just don't know if I'll ever survive to that day.

Continuing to look at the lines of calculations filled with more than a dozen sheets of paper, as well as the sketches drawn casually, Lu Zhou carefully checked it, and after confirming that there were no problems, he nodded with satisfaction.

The mathematical model part is done.

This part can be solved with pen and paper.

As for the rest of the part, there is nothing more suitable than a quantum computer!

"Xiao Ai."

In the lower right corner of the computer, a string of bubbles quickly popped up.

[Xiao Ai has always been there, master.? (^?^*)】

"Do me a favor."

Shaking the scratch paper in his hand, looking at the lines of calculations on the paper, the corners of Lu Zhou's mouth gradually hooked up a smile of victory.

"I've got some data here."

"I'll ask you to help me deal with it."

……

Jinling Institute for Advanced Study.

Institute of Computational Materials.

A group of people gathered in front of the experimental equipment, all with solemn expressions on their faces.

Just now, they tried to adjust the pore size of the porous silicon-based molecular exchange membrane, but neither the results of computer simulations nor the results of experimental tests met their expectations.

Now it seems that the research on lithium-air batteries may have reached a dead end.

No matter how close they are to this outcome, there is still no way to solve this most critical problem of nitrogen permeation......

"We could be thinking wrong."

Standing next to Yang Xu, Qian Zhongming, who had been touching his chin and had not spoken, suddenly broke the silence.

"Adjusting the pore size may make oxygen molecules more permeable to this material, but it may be ...... to change the problem that nitrogen molecules also permeate into the membrane in essence."

At this point, he paused for a moment and continued.

“…… Or the technical route of multi-pore silicon-based molecular exchange membranes is itself wrong. ”

There was a deathly silence in the lab.

This sentence is tantamount to declaring that all the achievements they have made in the past two years have failed......

Yang Xu's fists clenched tightly.

After a long while, he took a deep breath as if he had not given up.

"Let me try again, if it doesn't work......"

If not......

Even if 10,000 are unwilling, it is impossible for him to continue to stumble on this technical route. Neither his duties as a director nor his sanity as a scholar allowed him to do so.

Perhaps, he should give everyone in the project team a holiday, and he himself should take some time to go out and think about how to write the next report.

If the project hadn't been axed, which one would he have considered next time......

Just as he was already thinking about the future, a voice floated from the direction of the door.

"Don't try, Brother Qian is right."

Pushing open the door and walking into the laboratory, everyone in the laboratory looked at him in unison, Lu Zhou threw a USB flash drive on the table, and added in a relaxed tone.

“…… At least, half right. ”

Attracted by the USB flash drive, Yang Xu was slightly stunned and asked.

"It is."

"A ...... of Molecular Exchange Membranes Based on New Materials"

Coughing slightly, Lu Zhou snapped his fingers and continued.

"In short, I need you to replace all the silicon in the membrane with carbon of the same family!"

（

The monthly ticket list suddenly jumped one place, but why didn't I have any joy at all, but a little trembling. Although we are most likely safe, this is too scary...... QAQ

For the sake of insurance, leave a public account here, and book friends who have WeChat should pay attention to it, please!

The WeChat public account is my pen name, and you can see it by searching for "Morning Star LL".

Set up a flag first, 5,000 fans plus one more! Eruptions start at the beginning of next month!

）