Just turned over a new leaf and became a wise and intelligent student

Chapter 303: Because it doesn’t work, I plan to make it myself

Should I knock on the door or not?
Qiu Yong stood at the door of Xu Qingshan's room, struggling.

"Clap."

The door opened.

"Teacher Qiu, why are you here? Do you need help from Brother Qingshan?"

The girl with smooth long hair was holding a bag in her hand. She had a slightly emotional expression at first, but when she saw Qiu Yong standing hesitantly at the door, she put away her expression and asked obediently.

"It's Xiao Tong. There's something wrong, but I don't know."

Qiu Yong smiled awkwardly and glanced into the room.

Tong Tong understood it at a glance, she moved sideways to make way for Qiu Yong to pass into the house.

"It's okay. I have nothing to do right now. I just happened to be looking for you. Come in."

Tong Tong's eyes rolled around, he thought of something, turned around and shouted towards the house.

"Brother, Teacher Qiu is here!"

After Tong Tong finished speaking, she walked into the room and put her bag aside. She seemed very happy that she didn't have to leave the room.

"Isn't this appropriate?"

Qiu Yong poked his head into the room somewhat embarrassedly and looked around, but did not see Xu Qingshan and Jiang Huanxi.

"Teacher Qiu is here, come in quickly."

Xu Qingshan heard the noise outside and came out of the bedroom with a pen in his hand. Qiu Yong looked around and made sure they were not doing anything strange, then he walked in with peace of mind and sat down on the sofa in the living room.

"Hey, it looks like you guys have been doing a lot of research in the house."

Qiu Yong looked at the various documents and materials, including printed journal articles and densely written formulas, scattered around the room. Although some of them had nothing to do with their project, there were mathematics, physics, biology and chemistry. They looked quite mixed and the handwriting was obviously different.

This is enough to prove that these three children are all very studious.

There was even a blanket on the long sofa, probably because people took a rest there when they got tired of studying.

Little did he know that was where Xu Qingshan slept.

In fact, he also wanted Tong Tong to live in a room of her own, but Tong Tong just didn't want to. She said that she followed her brother to Liangxi, so how could her brother leave her alone?
If she can't get close to Xu Qingshan, then Jiang Huanxi can forget about it either.

"Teacher Qiu must be here to talk to me about something. Is it the information about the project?"

Xu Qingshan sat down, and I watched with interest as Qiu Yong took the stack of thesis materials in his hand and slowly flipped through them.

"Yes, it's the data in our laboratory. This is the material used to make blue organic light-emitting materials."

Qiu Yong took out a few copies of the documents compiled by his team and showed them to Xu Qingshan.

"Blue phosphorescent materials are currently the bottleneck in the research field of organic light-emitting materials. This article can be regarded as a review."

Xu Qingshan read it carefully.

"The blue shift of luminescence reduces the HOMO energy level and improves the luminescence efficiency. The rigid structure and steric hindrance effect. Isn't this paper quite complete? Can't it be published at any time?"

"Tao Ran, Qiao Juan, Duan Lian, Old Qiu, you are just a figurehead?"

Xu Qingshan looked through the paper over and over again and asked in confusion.

"But why are you showing this to me? Is there anything I can do to help?"

"Hey, the manuscript is almost due, so I want you to help review the layout."

Qiu Yong forced a smile and took out a few more documents.

Xu Qingshan looked at Qiu Yong with a strange expression.

"If you have something to say, just tell me. There's no need to find these excuses to chat."

Xu Qingshan seriously suspected that Qiu Yong just wanted to have more contact with him and cultivate feelings with him recently.

This can be seen from the fact that he inexplicably started playing all kinds of emotional cards to win me over.

Xu Qingshan's eyes were like rulers, as if he could see what was in Qiu Yong's heart. Qiu Yong gave a wry smile, and finally took out the things he needed Xu Qingshan's help with.

"Then we won't go through the process. I may need your help with this part right now. The rest is actually fine. Everything is progressing smoothly."

Qiu Yong took out a document bag with an asterisk on it and gave it to Xu Qingshan.

Xu Qingshan raised his hand and opened it, and it was all in the format of English journal articles.

He looked at it carefully for a while, frowned and asked.

"This part doesn't seem that difficult, does it?"

“It’s not difficult. In fact, I was worried that it might be too complicated at the beginning.”

Qiu Yong spoke awkwardly.

"After all, it's a bit stressful to do material calculations by yourself. You've just started to learn it. I think it would be better if you start with simple problems. After all, to be honest, in China, most people in computational materials science only use VASP to calculate binding energy, energy bands, DOS, etc. There are no successful precedents in this area."

"This is useless."

Xu Qingshan put the things back on the table and shook his head.

He understood what Qiu Yong meant.

Computational materials science is a good subject, a good tool, and has a bright future, but it has not yet been verified, so it is unlikely to be used in major core projects.

"Don't you want to try?"

"no need."

Xu Qingshan refused decisively.

"You don't need to add too many extra things when doing experiments. This problem doesn't need to be used at all. It's the same with or without. There is little meaning in doing such work."

Qiu Yong was worried that Xu Qingshan might be upset, so he spoke cautiously.

"Qingshan, it's not that I don't trust you, it's just that this thing is too new to him."

"Didn't you say today that Beijing University doesn't have this direction? Is Huaqing's opening also a fledgling one?"

Xu Qingshan didn't feel anything, he just thought it was quite interesting.

"Oh my, oh my, what a nice day today."

"Okay, Lao Qiu, I'm not unhappy. Don't think too much. This is our first cooperation. If I really want to do computational materials science well, you will definitely be my first choice. I think computational materials science without experimental verification is not a good applied science. And as of now, your field is mainly organic light-emitting materials and semiconductors, which are both precision work. Molecular dynamics is definitely not enough. I still need some time to study density functional theory thoroughly, but these may not be very suitable for organic optoelectronic materials. I may consider some other methods. After all, multi-scale simulation is not that easy to do."

As Xu Qingshan spoke, he glanced at Qiu Yong, who looked embarrassed.

"So, don't be anxious or too impatient."

"If you are not confident about the project in your own group, then we will start with crystalline silicon. Anyway, the resources used in the experiment are all from Suntech, so it won't waste the funds of your project team, Mr. Qiu. Don't worry."

Xu Qingshan comforted.

But after he said this, Qiu Yong felt even worse. Qiu Yong sat on the sofa in silence, not saying anything else. He looked a little dejected, like a stray dog ​​on the street.

He was indeed suffering.

Xu Qingshan saw it clearly.

In fact, he really didn't feel anything. After all, he knew clearly that at Peking University, the funding for each school, college, and project team was limited, and it was impossible for people to squander it without limit.

Especially for people like Qiu Yong who have national key laboratories, they have "KPI" every year.

If a lot of resources were spent on playing with his computer materials student, it would be difficult for Qiu Yong to do it. Not to mention Qiu Yong, even if it was Kyoto University, even if he was Kyoto University's biological father, Kyoto University would have to hold meetings again and again to discuss whether to spend the money.

"Lao Qiu."

Xu Qingshan patted Qiu Yong's shoulder. Looking at the crying squirrel, Xu Qingshan inexplicably wanted to laugh.

Qiu Yong rested his elbows on his knees and covered his face. Only after Xu Qingshan patted him did he slightly look up at Xu Qingshan.

Xu Qingshan just said.

"You know I didn't mean it that way."

"The main reason is that the current computing software is not really... fully compatible with the organic molecular materials we want to make."

“Because none of them work very well, I was thinking…”

Qiu Yong widened his eyes and swallowed. With his professionalism and keen intuition as a top scientific researcher in the country, he felt that Xu Qingshan was trying to act big in front of him.

Xu Qingshan frowned slightly and spoke seriously.

"Make a more suitable computing software yourself."

"In fact, after I learned about the characteristics of each project, I have been considering developing a more suitable scientific computing software myself, specifically for studying the luminescence and transmission properties of organic molecular materials and quantitatively predicting luminescence efficiency and mobility. After all, this software can be used not only by those of you who work in optoelectronics, but also by the semiconductors I want to work on."

As Xu Qingshan spoke, Qiu Yong slowly calmed down, focused his eyes, listened carefully to Xu Qingshan's ideas, and gave his own opinions from the perspective of an organic materials expert. The two of them actually started discussing this.

"But this is no small project, so I'd like to hear your opinion."

"Organic light-emitting materials actually have many core advantages. For example, the research directions of the papers I just showed you are all from the perspective of developing advantages."

Qiu Yong pondered for a moment and introduced it to Xu Qingshan.

"It has a large optical path range, is easy to obtain blue light, has high brightness, high efficiency, low driving voltage, low energy consumption, has unique flexibility, has a simple manufacturing process, is rich in sources, is easy to process, can be manufactured on a large scale, etc."

"These are all advantages over inorganic luminescent materials."

Xu Qingshan nodded. He actually knew these simple things.

“But I may need to consider what kind of theoretical methods to use to deal with the decay process of excited states in complex systems.”

"Fermi's Golden Rule, Fermi's Golden Rule based on perturbation theory."

Qiu Yong replied immediately.

Xu Qingshan raised his eyes and looked at him.

"Because the decay time scale of the excited state of typical organic light-emitting systems now ranges from nanoseconds to microseconds and milliseconds, if perturbation theory is used as a guarantee, using it to calculate the decay probability period should be the most effective method."

"it is good."

Xu Qingshan nodded.

"In fact, I think you can obtain some of the data by embedding other quantitative software to calculate, so you don't have to do it yourself. After all, the workload is not small."

Qiu Yong seriously considered the possibility that Xu Qingshan wanted to develop scientific computing software himself.

It's very difficult, but not impossible.

After all, Xu Qingshan is not fighting alone. I heard that many projects at the Information Technology Center of Peking University are based on Xu Qingshan, and there are also many resources that can be mobilized.

The computers at Huaqing are also very strong, and they can provide resources.

With so much help, Xu Qingshan might be able to accomplish it.

However, in order to create a scientific computing software with high simulation degree and accurate simulation, Xu Qingshan must have his own original calculation methods and develop a strict calculation process. As for the subsequent creation of projects, importing structures, generating input files, etc., they are much simpler than the original methods.

There are not many young people like Xu Qingshan in China who not only understand computers but also have basic knowledge of physics and chemistry.

Some people say that computational materials science is a joke now, but others say that it is the future of materials science.

As for the answer, perhaps it lies in Xu Qingshan's hands.

"Let me think about it."

As Xu Qingshan spoke, he reviewed the basic information related to organic material research and development that he had recently learned and mastered.

"If I have information about the ground state and excited state of the molecule, I seem to..."

Xu Qingshan reached out to Jiang Huanxi who was standing beside him. Jiang Huanxi, who had been listening attentively, understood and handed him something like a drawing board with blank paper on it. Xu Qingshan especially liked to use this to organize his thoughts and make drafts.

"Old Qiu, what does the information about the ground state and excited state of a molecule generally contain?"

"Well, the equilibrium configuration, energy, vibration mode of the molecule in the ground state and excited state, as well as the transition dipole moment between two electronic states, non-adiabatic coupling vector, spin-orbit coupling constant, and transfer integral. In fact, you can try some of the more complete quantitative software now. You can just filter the data output from them. Software such as Gaussian, Turbomole, NWChem, Dalton, and BDF will all work."

Qiu Yong thought about it and gave the computing software that he often used to assist in experiments in his laboratory.

"What I need to get in the end is something that is quantitative. If the direction is well defined, based on the structure, mode shift, and Duschinsky rotation matrix of the electron-vibration coupling program, I can calculate the molecular absorption spectrum, fluorescence spectrum, phosphorescence spectrum, radiation rate, internal conversion rate, intersystem crossing rate, and charge transfer rate, thereby quantitatively quantifying the quantum yield and mobility of the fluorescence and phosphorescence of the molecule."

“Then the algorithm I need to do is here.”

Xu Qingshan stretched out his finger and pressed on the word he had just written. There was a little too much ink in the pen, and some ink marks were left on his fingertips after he pressed it. However, he did not care. Instead, he began to think enthusiastically about what he needed to master and what he should touch next.

"It's not difficult to present such a relationship. The main thing is..."

Qiu Yong looked at Xu Qingshan with a little worry.

After all, he was from Huaqing University, not Peking University. He had never seen Xu Qingshan take out something in the first place, so naturally he didn't know about Xu Qingshan's magical ability of creating something out of nothing.

However, when it comes to theoretical matters, Qiu Yong finally chose to believe Xu Qingshan first.

"Old Qiu, you should take care of Shangde for the next few days. I need to sort out this part, think about the ideas, and find the direction. If it's not important, don't bother me."

Xu Qingshan's eyes were shining, like a wolf that had seen its prey.

"Oh fine."

Qiu Yong did not object, because if Xu Qingshan could really develop this computing software, it would greatly facilitate and assist both his own work on organic optoelectronics and Suntech's subsequent organic semiconductors.

because.

Humans know how to use tools.

What Xu Qingshan is doing is making tools in the scientific world.

From now on, I will update at 12 noon every day. I will try to save some manuscripts recently, and then increase the number of words in each chapter to advance the plot.

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(End of this chapter)