Super Dimension Technology Era

Chapter 40 Computational Materials Science

Solved the learning problems of the two brothers Huang Mingli and Huang Xiaoling.

He devoted himself to work and study.

The first computational material law model has been compiled. This law model is called the photosensitive material law model.

The model can input the respective parameter settings for the photosensitive material, and then input the respective raw materials, and then the material calculation design can be performed on the computer.

Of course, this screening calculation may not be successful. Whether it is the input of required material parameters or the input of raw materials, it will have a huge impact on the final result at this time.

However, the emergence of this regular model indicates that the cost of trial and error of materials has been reduced. If the raw materials can form the required photosensitive materials, the model calculation results will form some compounds.

He entered the parameters of the photosensitive material, then the raw materials, and then asked the ghost to steal the computing power of the Pengcheng Supercomputing Center, and the results came out in less than ten minutes.

The result, of course, was nothing.

I continued to adjust the parameters of the raw materials and tried intermittently for three days. I conducted 21 simulation calculations and finally obtained the molecular formulas of two compounds.

It seems that the success rate is less than 10%, which seems very low. In fact, this success rate is already very high.

It is simply wishful thinking to achieve a success rate of about 10% in general materials science experiments. A success rate of one in 10,000 is the result of burning incense.

On the one hand, among materials experiments, it is very likely that after thousands of experiments, nothing will be found. This situation is common in the materials research and development industry.

The photosensitive material law model can achieve a success rate of 10%, and the results can be obtained without conducting actual experiments. In this process, countless manpower, material resources and time are saved. This is an artifact.

However, Huang Mingzhe knows that this 10% success rate is actually very high, because the molecular formulas of these compounds are products that have not been verified by actual experiments. Whether they can achieve the expected results is still unknown.

"Shihe."

"Yes, President." Zhang Shihe responded quickly.

"Drive and prepare to go to the Materials Research Institute in Haicheng County."

Huang Mingzhe came down to the first floor with his coat and told his fat aunt not to eat at home at noon.

When he opened the courtyard door, Zhang Shihe was already waiting for him in his car. As soon as Huang Mingzhe got in the car and sat down, the car followed the cement road to the road at the entrance of the village.

Along the way, there were a lot more people in the village. Many young people who went to work in the Pearl River Delta came back to celebrate the Spring Festival before the Spring Festival.

There are kumquats or red chrysanthemums in front of the door, and peach symbols and blessing characters on the wall. Women dusted away cobwebs, while children beat gongs and danced with tigers and lions.

The car slowly left Qingmao Village and turned west. Haicheng County is in the west of Shanmei City. More than half an hour later, it entered a small town.

The Materials Research Institute and the Physics Research Institute of the Think Society are both here, while the Computer Programming Research Institute is over there in the Bu Bian Industrial Zone.

As a research institute, Huang Mingzhe attaches great importance to the security work here. Not only are there surveillance cameras that leave no blind spots, but there are also tall walls surrounding the research institute, and there are security guards and two Chinese pastoral dogs at the entrance.

After showing his ID, the car moved inside the institute.

The reason for such strict management is mainly due to Huang Mingzhe's precautions. In the future, these research institutes will inevitably involve a lot of sensitive technologies. If we don't take precautions in advance, we will be in big trouble.

The head of the Materials Research Institute is a short, fat, middle-aged man who previously had a Ph.D. in chemistry from Northwestern Polytechnical University. His name is Ma Zhili.

Huang Mingzhe had already called Ma Zhili halfway, so Ma Zhili and others were already waiting for him at the door.

Although the Spring Festival was approaching, Ma Zhili and three other researchers chose to stay on duty, and the remaining dozen researchers had already gone back for vacation.

"President."

"Lao Ma, let's talk inside." Huang Mingzhe said as he walked.

"President, what's the matter?" Ma Zhili was also confused about Huang Mingzhe's sudden arrival.

"Take me to the computer room of the research institute." Huang Mingzhe did not explain.

Soon the group entered the computer room of the Materials Research Institute. As a materials research institute, it is equipped with a large number of servers and can also be connected to the computing center in Bu Bian Industrial Zone.

Insert a USB flash drive into the computer, an interface popped up, and then he entered a 12-digit password. The photosensitive material law model and the general material calculator software were installed in the computer.

Huang Mingzhe then locked the software in the computer, set permissions and backdoors, and let the ghost monitor the place around the clock.

After doing all this, Huang Mingzhe stood up and said: "I developed a photosensitive material law model. Since you guys are on duty here during the Spring Festival, you will be responsible for testing this software and calculating the product verification of materials."

"Photosensitive material law model? Computational materials?" As a doctor of chemistry, Ma Zhili naturally knows the cutting-edge direction of materials science in the world today.

But is it really okay for a mathematician like you to not do your job properly? Ma Zhili complained in his heart.

Although I am not optimistic about this so-called photosensitive material law model, I am afraid that if I deny the results of the big boss in person, I don’t want to mess around.

"President, we must test this software as soon as possible."

Huang Mingzhe ordered: "I have successfully screened the molecular formulas of two compounds before, and the records are in it. You can first verify whether those two compounds can be synthesized. There are tutorials on how to use the materials calculator. If you have any questions, please report them to us via the internal network in a timely manner. I."

"Okay, we'll arrange the experiment right away."

Huang Mingzhe and Ma Zhili discussed it for more than two hours, and then went to the physics institute next door for an inspection.

"Ma Institute, what should I do?" a young researcher asked.

"Cold salad, arrange experimental verification." Ma Zhili shrugged and ordered.

The researcher went to prepare the experiment, and Ma Zhili opened the backend of the materials calculator, and sure enough, there were the molecular formulas of two compounds on it.

He turned on another computer and went to a website dedicated to searching for compounds. After searching several times, he discovered that these two compounds were really brand new compounds.

However, Ma Zhili was not too surprised. After all, new compounds are developed every day in the world. The key is the properties and functions of the compounds.

With the experimental materials ready, Ma Zhili deduced the chemical synthesis steps based on the molecular formula, and quickly successfully synthesized two compounds.

Looking at the two compound test reports in his hand, he took out the estimated parameter table.

The first compound has an overall similarity of only 23.6%; while the second compound has an overall parameter similarity of 87.7%.

"A blind cat meets a dead mouse?" Ma Zhili was suspicious as he directed several researchers to start the material calculator to calculate materials.

On average, it can be calculated once in about ten minutes. Ma Zhili and others set the parameters of several photosensitive materials and worked hard for two days and two nights to calculate three molecular formulas, one of which was an existing compound.

The remaining two new compounds were synthesized and then tested for their properties.

"Ma Institute, the similarity in performance parameters of Compound No. 4 has reached 94.2%."

Several researchers looked at each other, and Ma Zhili was also in disbelief: "Continue to calculate the materials."

Before the New Year, they performed more than 300 calculations, of which 24 generated molecular formulas, and 6 times the similarity of molecular formula performance parameters reached over 90%.

This result is so shocking that Ma Zhili and others cannot imagine that computational materials science can already achieve this level.

Thanks to "Taoist Yuming" for the reward, thank you all for your support!

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