In the material calculation model group, in the computer room, Xu Chuan opened the code of the graphene module and read it carefully.

He naturally understands mathematical models, but he doesn't know much.

After all, he is not a student of this major and has not studied systematically.

Of course, it's okay to figure out what the code is meaning after someone else has written it and put it in front of his eyes.

"A quantum mechanical calculation program of the plane wave-pseudopotential density functional method is added here, and a linear combination method of atomic orbits is made."

"The hybrid method of quantum mechanics and molecular mechanics is introduced here, which combines the advantages of high accuracy of quantum mechanics and high efficiency of force field calculation."

“.”

"From a programmatic point of view, this method can reduce the computational cost while performing high-precision calculations on large systems, and can simulate organic and inorganic molecular systems."

It took some time for Xu Chuan to check the relevant code of the graphene module.

What made him a little puzzled was that if it was just a change to these things, it shouldn't have greatly improved the computing power of the graphene module.

After all, these directions 1 are quite conventional, and although they do improve, they shouldn't be so big.

According to Fan Pengyue's meaning, it is not only this part that has been changed, but also some things from other modules.

Clicking on this part of the things, Xu Chuan flipped through it, and his eyes suddenly condensed.

【//Algorithm set】

In the field of graphene module algorithms, he saw a new thing, quickly flipped through it, and he immediately understood the reason why the computing power of the graphene module has been greatly improved.

I also know why the reduction of graphene oxide is carried out directly by electrochemical reduction without the use of reducing agents.

After reading this algorithm set, Xu Chuan breathed a long sigh of relief.

With his gaze, he can naturally see the underlying logic of this algorithm.

In this algorithm set, that Liu Jiaxin made an independent algorithm set for lithium iron phosphate batteries and rigid, non-ionic or ionic molecules mainly composed of C, O, H, Li, Fe and P.

By referencing the underlying physical properties and binding methods, the crystal structure with the lowest energy is searched for various possible stacking and arrangement forms of a given molecule in the space group.

Then, on this basis, another Biovia algorithm was introduced to predict the relationship between atomic and molecular structure, properties and properties in computational materials.

In this way, the electrochemical process of graphene manufacturing of lithium iron phosphate batteries can be derived separately.

Very ingenious way, but have to say very useful.

At least it can combine more possibilities with limited conditions.

Of course, there are also disadvantages of this algorithm set, it has great limitations, although it is useful, but it is limited to lithium iron phosphate and graphene.

It is an inference made by a rigid, non-ionic or ionic molecule composed of C, O, H, Li, Fe, and P, and is based on the mathematical method he originally did.

In layman's terms, this set of algorithms resembles a banyan tree, whose roots spread out and then re-breaks the ground in the distance and grows into another tree.

It seems to be independent, but its root system is still derived from the main root system.

"It's a clever way, but someone should be able to figure out the principle of this in the calculation of materials, right?"

After reading the optimized graphene module program, Xu Chuan looked up at Fan Pengyue and asked.

Master Xiong nodded, scratched his head and replied with some embarrassment: "I must know if I know, but that algorithm set involves the mathematical formula constructed by your junior sister, and this is very difficult." ”

"You know, while people in the computational materials business are always hiring, it's too difficult to recruit someone who is top-notch and proficient in math and algorithms."

"This level of talent is generally in the top laboratories abroad, and it is basically impossible to dig them up."

Hearing Fan Pengyue say this, Xu Chuan suddenly remembered that he had ignored the mathematical methods in the algorithm set.

From his point of view, the optimized mathematical method in graphene is indeed very simple, after all, his mathematical ability is top-notch.

But in the eyes of researchers in other fields of computational materials, it is quite difficult.

And top talents like senior sister Liu Jiaxin, who can be offered to her by famous companies such as Google and Apple, and the highest annual salary is even 1.6 million meters, are basically bound to major companies.

Even if it is put into Google and Apple and other companies, they are all at the level of chief engineers, and they have the ability to influence an entire industry.

This kind of talent, in addition to the annual salary, basically has stocks, options and other incentives for selling, how can it be easily poached.

After thinking about it, he shook his head with a smile and said, "Okay, I'll go find Senior Sister Jiaxin when I have time, and then talk about the optimization of the computational model." ”

After a slight pause, he continued: "However, computational materials science is very large, and it is impossible to rely on one method to cover all types of materials. ”

"And as more and more mechanisms and algorithms of various materials are added, it is inevitable that the model will become larger and larger."

"As for the computing power, let's build a large supercomputing center by ourselves."

Hearing this, Fan Pengyue thought for a while and said, "It is indeed feasible to build a supercomputer by yourself, but will the cost be too great?" ”

"If we want to be able to run the research institute's computing model perfectly, I am afraid that the funds required will exceed two billion, and it is still rice gold."

Although with the realization of controlled nuclear fusion technology, Mijin is constantly falling all the way, and RMB is rising all the way.

However, under the deliberate control of Huaguo, the current exchange rate between Mi Jinqi and RMB is still maintained at about 1:5.

Two billion meters of gold, converted to more than 10 billion RMB.

Xu Chuan shook his head and said, "Just like the supercomputer 'Anton Supercomputer' in the chemical world, if you only build a supercomputer for the material calculation model, the funds required are not too much, and the research institute can afford it." ”

After a pause, he continued: "And the purpose of my previous establishment of the Chuanhai Materials Research Institute was not to rely on it to make much money. ”

"While making money is one thing, it was founded to explore more science. In this regard, problems that can be solved with money are not a problem. ”

And in addition to the Chuanhai Materials Research Institute, Chuanhai Network Technology Company also has a demand for supercomputing. It's still possible to build a supercomputer and use it together with two companies. ”

Fan Pengyue nodded and said, "Since you have decided, then I will find someone to study it later." There is a plan to send you later. ”

"Okay."

Xu Chuan nodded and agreed, chatted with the senior brother in the office for a while, and made a plan for the next arrangements of the Chuanhai Materials Research Institute.

Although he doesn't usually come here, the overall direction is still under control.

After chatting for a while, Xu Chuan left for another company under his name, 'Chuanhai Network Technology Co., Ltd.'.

The batch synthesis results of graphene will not come out until more than three o'clock in the afternoon, and there is still time, so it is better to go to the senior sister to have a look.

'Chuanhai Network Technology Co., Ltd.' was newly established after Liu Jiaxin returned from Princeton.

Of course, it is said that it is newly established, but the time is actually more than a year ago.

Its main purpose is to make a network security protection platform for Chuanhai Materials Research Institute, and on the other hand, it is to develop the field of artificial intelligence and big data.

More than a year is not enough time for this company to grow a lot.

After all, he is not a professional in the field of computer science, and he cannot drive the development of the laboratory through his own research like the Chuanhai Materials Research Institute.

However, with the support of sufficient funds, its development is still quite smooth.

At least two floors of office buildings have been rented in the industrial area near the Purple Mountain, with hundreds of program apes and corresponding company personnel.

All the way to 'Chuanhai Network Technology Co., Ltd.', Xu Chuan found Liu Jiaxin, who was busy with his work in the office.

With a smile, he knocked on the door, and the senior sister who was awakened looked up, and was obviously stunned for a moment when she saw him, and then a smile floated on her face.

"Why are you here?"

Xu Chuan smiled and teased: "Although I haven't been here for a long time, you can't forget that this is my company." ”

Hearing this, Liu Jiaxin's face was slightly red, and she said a little embarrassedly: "I didn't mean that." ”

Xu Chuan said with a smile: "I just came from the Chuanhai Materials Research Institute, I heard that you helped optimize the model over there?" ”

Liu Jiaxin thought about it, nodded and asked a little nervously: "Well, I did help improve the model in June, is there something wrong?" ”

Xu Chuan pretended to be serious and said, "Question? Something is wrong! ”

Hearing this, Liu Jiaxin immediately became nervous: "What, what's wrong?" ”

Seeing this, Xu Chuan stopped teasing her, and said with a smile: "The problem is that the model you optimized is too good and has played a big role, and Senior Brother Fan wants me to arrest you and continue to work as a coolie." ”

Seeing that there was no problem with the things she helped modify, Liu Jiaxin relaxed, secretly breathed a sigh of relief, and said, "Then I'll help change it when I have time?" ”

Xu Chuan shook his head and said with a smile: "This is not in a hurry, I came here this time mainly to ask you for a favor." ”

As he spoke, he handed over the document he had brought from the Chuanhai Materials Research Institute, and continued: "I have seen your modified model at the research institute, as well as some experimental data from their research on graphene, and I have some new ideas. ”

"Regarding carbon dioxide, I wanted to design a synthetic route."

Xu Chuan concisely said the concept that came up with the Chuanhai Materials Research Institute in the morning, and continued:

"There are many compounds of carbon, from organic proteins and fats to inorganic petroleum, hydrogen carbide, graphene and other materials, all of which can be synthesized. But correspondingly, this process requires a computational model to refine the relevant synthesis routes, as well as to fabricate CO2 capture devices and synthesis devices, and so on. ”

"And the kind of mathematical methods and related algorithm sets you use when optimizing the computational model are very suitable, and although the reference field is not extensive, the scope of carbon as the core and other materials is relatively small, which is more suitable for your logic."

After looking through the document in his hand, after listening to Xu Chuan's request, Liu Jiaxin thought for a while and said, "If you can provide the formula of the carbon synthesis route and related information, I can give it a try, this should be possible." ”

"Compared with the graphene module of the previous optimization research institute, carbon synthesis of carbon compounds is generally increased by hydrogenation to increase the long chain, the difficulty is that carbon dioxide is a very stable molecule, and its catalytic reaction with hydrogen molecules yields more short-chain hydrocarbons such as methane, ethane, propane, etc., and it is difficult to obtain long-chain hydrocarbons in gasoline fuel."

Hearing this, Xu Chuan glanced at Liu Jiaxin with some surprise: "Do you know the material?" ”

Liu Jiaxin pursed her lips and said, "There is research in this area at Princeton, I learned a little about it when I was there, and I participated in a project to build a related mathematical model. ”

Xu Chuan smiled: "That's great, I'll send you some information when I go back, you can take a look at it first, and then I'll study this together when I'm done." ”

After thinking about it, he added: "This is not in a hurry, it is a technology to prepare for the future, you can just take a look at it when you have time, you don't need to work overtime." ”

He knows the character of this senior sister, and if he doesn't say it, he will definitely raise the priority of this matter to the highest level and deal with it overtime.

But as for the technology of carbon dioxide collection and conversion into carbon compounds, he is preparing for the future landing on Mars and even the development of Mars.

The atmosphere on Mars is thin, but more than 96% of the Martian atmosphere is made up of carbon dioxide.

Moreover, through the research data of historical space landings, it is shown that there is a large amount of carbon dioxide in the surface soil of Mars.

For example, at the poles of Mars, there are large bodies of water ice composed of carbon dioxide and water.

On Mars, whether it is the Arctic ice sheet or the Antarctic ice sheet, it can even reach thousands of kilometers at aphelion, which shows that it is extremely rich in water ice and carbon dioxide.

Compared with the transportation of these substances from the earth, the cost of synthesizing various carbon compounds from carbon dioxide, water, and oxygen and hydrogen electrolysis of water will undoubtedly be hundreds or even tens of thousands of times lower.

This provides a real feasibility for the development of Mars.

Even if the grand plan to completely transform Mars is eventually rejected, this technology can still provide great convenience for establishing colonies and permanent bases on Mars.

Of course, the conversion of carbon dioxide into carbon compounds is not without use on Earth.

Although the Earth's atmosphere has a low carbon dioxide content, the atmospheric concentration is not comparable to that of Mars.

More critically, carbon dioxide is a by-product of many products, and under low-carbon policies, it is also promising to use this technology to synthesize it into other valuable products.

Its future is worth looking forward to.