Chapter 303: Because it’s not easy to use, I plan to do it myself
Am I knocking on the door? Or not knocking?
Qiu Yong stood at the door of Xu Qingshan's room, struggling.
"Crack."
The door opened.
"Teacher Qiu, why are you here? Are you looking for Brother Qingshan for something?"
The girl with long, silky hair was holding a bag in her hand. She originally had a little emotion on her face, but now she saw her standing at the door. The hesitant Qiu Yong put away his expression and asked obediently.
"It's Xiao Tong. Something happened, but I just don't know."
Qiu Yong smiled awkwardly and glanced into the room.
Tong Tong knew it clearly at a glance. She turned sideways and opened the way into the house so that Qiu Yong could pass.
"It's okay. I have nothing to do now. I just want to go find you. Come in."
Tong Tong's eyes rolled, he thought of something, turned his head and shouted towards the room.
"Brother, Teacher Qiu is here!"
After Tong Tong finished speaking, she walked towards the room and put her bag aside. She seemed to be happy that she didn't have to leave the room. Feel very happy.
“Isn’t this appropriate?”
Qiu Yong sheepishly poked his head into the room and looked around, but did not see Xu Qingshan and Jiang Huanxi.
"Teacher Qiu is here, come in quickly."
Xu Qingshan heard the movement outside and walked out of the bedroom, holding a pen in his hand. Qiu Yong took a look 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, you guys are doing a lot of research in the room with your attitude.”
Qiu Yong looked at the various printed documents placed everywhere in the room. Journal papers, and the dense formulas written on those papers. Although some of them have nothing to do with their project this time, there are mathematics, physics, biology and chemistry. They look quite complicated and the handwriting is obvious. different.
It proves that these three children are very studious.
There was even a blanket on the couch, probably because he was learning to rest there when he got tired.
Little did he know that that was where Xu Qingshan slept.
Actually, he also wanted Tong Tong to live in a room by himself, but Tong Tong was unwilling. He followed his brother to Liangxi. How could his brother leave her alone?
If she can't get close to Xu Qingshan, then Jiang Huanxi can't either.
"Teacher Qiu must have come here to ask me for something. What information is there about the project?" He took it over and slowly turned it over.
"Yes, it is the information in our laboratory. This one is for making blue condensed organic luminescent materials."
Qiu Yong took a few copies of the documents compiled by his team Show it to Xu Qingshan.
“Blue phosphorescent materials are the bottleneck in the current research field of organic light-emitting materials. This article can be regarded as a review.”
Xu Qingshan looked at it carefully.
“The luminescence blue shift reduces the angle of HOMO energy level and improves luminous efficiency, rigid structure, and steric hindrance effect. Isn’t this paper quite complete? Can’t it be published at some time?”
"Tao Ran, Qiao Juan, Duan Lian, Lao Qiu, you just have a name for yourself?"
Xu Qingshan looked over the paper a few times and asked with some confusion.
“But why are you showing me this thing? There’s nothing I can do to help, right?”
"Hey, the manuscript is about to be submitted. Let me help you review the layout issues."
Qiu Yong put on a smile and took out a few more documents.
Xu Qingshan looked at Qiu Yong with a strange expression.
"If something happens to Lao Qiu, just say it directly. There is no need to find these reasons to chat."
Xu Qingshan seriously suspected that Qiu Yong wanted to have more contact with him recently and cultivate a relationship with him.
This can be seen from the fact that he inexplicably started playing all kinds of emotional cards to win over himself.
Xu Qingshan's eyes were like rulers, as if he could see what was in Qiu Yong's heart. Qiu Yong chuckled, and finally honestly took out the things that needed Xu Qingshan's help.
"Then we won't go through the process. I may need your help with this part now. The other parts are actually not much, everything is progressing smoothly."
Qiu Yong took out the The literature bag marked with an asterisk was given to Xu Qingshan.
Xu Qingshan raised his hand and opened it. They were all formatted English journal articles.
He looked at it carefully for a while, frowned and asked.
“Isn’t this part difficult?”
“It’s not difficult, but I’m actually worried about whether it will be too complicated at the beginning.”
Qiu Yong is not very embarrassed. The ground spoke.
“After all, it’s a bit stressful to do material calculations alone. You’ve just been exposed to it. I wonder if it would be better if you started with simple problems. After all, to be honest, domestic calculations are In materials science, most people just use VASP to calculate binding energies, energy bands, and DOS. There is no successful precedent in this regard."
"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 knowledge, a good tool, and has a good future, but it has not yet been verified, so it is unlikely that core large projects will be really useful.
“Why don’t you try it?”
"It's not necessary."
Xu Qingshan decisively refused.
“You don’t need to add too many redundant things when doing experiments. This problem doesn’t need to be used at all. There is no difference between having it and not having it. It doesn’t make much sense to do such work.”
Qiu Yong Worried that Xu Qingshan was in mood, he said cautiously.
“Qingshan, it’s not that I don’t trust you, it’s that he is too new to this thing.”
"Aren't you still saying today that Peking University doesn't have this direction? Is Huaqing University just a grassroots venture?"
Xu Qingshan was not in the mood, he just thought it was quite interesting.
“I, I, what, ha, the weather is really nice today”
“Okay, Lao Qiu, I’m not unhappy, don’t always think so much, let’s consider this 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 from now on, your field is mainly In organic light-emitting materials and semiconductors, they are all considered to be precise. Molecular dynamics is definitely not enough. I still need some time to thoroughly study density functional. But in organic optoelectronic materials, these may not be the case. It's very suitable. I might consider some other methods, after all, multi-scale simulation is not that easy to do."
Xu Qingshan said and glanced at Qiu Yong who looked embarrassed.
“So, don’t be impatient, don’t be too impatient.”
“If you are worried about the project in your own group, then we will start with crystalline silicon first. Anyway, the experiments will use Suntech’s resources. Don’t worry, I won’t waste your Lao Qiu project team’s funds.”
Xu Qingshan comforted.
But when his words came out, Qiu Yong felt even worse. Qiu Yong muttered and sat on the sofa without speaking. He looked a little downcast and looked like a stray dog on the roadside.
He was indeed uncomfortable.
Xu Qingshan saw it clearly.
Actually, he really didn't feel anything. After all, he knew well at Beijing University that the funds of each school, each college, and each project team were limited, and there could not be an unlimited amount of money for people to squander.
Especially for those like Qiu Yong and others who have national key laboratories, they have "KPIs" every year.
If he spends a lot of resources on playing with his own computing materials, it will be difficult for Qiu Yong to do it, let alone Qiu Yong, even if he is from Peking University, even if he is the biological father of Peking University, If Beijing University wants to spend this money, it has to hold meetings and discuss it again and again.
"Lao Qiu."
Xu Qingshan patted Qiu Yong's shoulder. Looking at the crying squirrel, Xu Qingshan wanted to laugh inexplicably.
Qiu Yong put his elbows on his knees and covered his face. After being patted by Xu Qingshan, he slightly raised his head to look at Xu Qingshan.
Xu Qingshan said.
“You know I didn’t mean it that way.”
"The main thing is that none of these current calculation software are actually very suitable for the organic molecular materials we want to create."
"Because they are not easy to use, so I am thinking..."
Qiu Yong's eyes widened and he swallowed. As a top scientific researcher in the country, with his professionalism and keen intuition, he felt that Xu Qingshan was going to act too big in front of him.
Xu Qingshan frowned slightly and said seriously.
“Make a more suitable calculation software yourself.”
"In fact, after I learned about the characteristics of each future project, I have been thinking about developing a more suitable scientific computing software, specifically used to study the luminescence and transmission properties of organic molecular materials and quantitatively predict luminous efficiency and mobility. After all, this is not only You do photovoltaics? It can be used, and the semiconductor I want to make can also be used."
As Xu Qingshan said, Qiu Yong slowly calmed down, his eyes focused, and he listened carefully to Xu Qingshan's ideas, and from the perspective of an organic materials expert. After giving their own opinions, the two really started discussing it.
“But this is not a small project, so I want to hear your opinion.”
“There are actually quite a few core advantages of organic light-emitting materials, such as what I just showed you. The research direction of those papers is actually from the perspective of development advantages. "
Qiu Yong pondered for a moment and introduced to Xu Qingshan.
"Wide optical path range, easy to obtain blue light, high brightness, high efficiency, low driving voltage, low energy consumption, unique flexibility, simple production process, rich sources, easy processing, large-area production, etc."
“These are the advantages compared to inorganic luminescent materials.”
Xu Qingshan nodded, he knew these simple things.
“But I may need to consider what kind of theoretical method 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 excited state decay time scale of typical organic light-emitting systems now ranges from the nanosecond level to microseconds and milliseconds. If there is perturbation theory as a guarantee, it should be the most effective to use it to calculate the decay probability period. There’s a way.”
“Okay.”
Xu Qingshan nodded.
"Actually, I think some of your data acquisition can be calculated by embedding other quantitative software. You don't have to do it yourself. After all, the amount of the project is not small."
Qiu Yong thought about it carefully. Aoyama wanted to think about the possibility of developing scientific computing software himself.
Very difficult, but not impossible.
After all, Xu Qingshan is not fighting alone. The Information Technology Center at Beijing University heard that there are many projects based on Xu Qingshan, and there are many resources available.
Huaqing's computers are also strong, and they can also provide resources.
With so much help, Xu Qingshan might be able to make it happen.
But if he wants to make a scientific computing software with high simulation and accurate simulation, Xu Qingshan must have his own original calculation method and formulate a strict calculation process. As for the subsequent creation projects, Importing structures, generating input files, etc. are much simpler than the original method.
There are not many young people like Xu Qingshan who know both computers and basic physics and chemistry skills in China.
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."
Xu Qingshan said, while reviewing the basic information related to the research and development of organic materials that he had recently learned.
"If there is information about the ground state and excited state of molecules, I seem to..."
Xu Qingshan reached out to Jiang Huanxi on the side, and Jiang Huanxi, who had been listening carefully, knowingly handed over a sketchpad-like drawing. Something with a blank piece of paper on it. Xu Qingshan especially likes to use this to organize his thoughts and make drafts.
"Lao Qiu, what are the general information about the ground state and excited state of molecules?"
"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 the two electronic states, the nonadiabatic coupling vector, the spin-orbit coupling constant, and the transfer integral. In fact, you can try those Nowadays, the quantitative software is relatively complete. The data output there can be Just perform another screening, such as Gaussian, Turbomole, NWChem, Dalton, and BDF.”
Qiu Yong thought and gave the calculations that are often used to assist when doing experiments in his laboratory. software.
“What I need to get in the end must be quantitative. If the direction is well defined, based on the structure, mode displacement, and Duschinsky rotation matrix of the electron-vibration coupling program, I can calculate the molecular absorption spectrum and fluorescence spectrum. , phosphorescence spectrum, radiation rate, internal conversion rate, intersystem crossing rate and charge transfer rate, thereby quantitatively quantifying the fluorescence and phosphorescence of molecules The quantum yield and mobility."
"Then the algorithm I need to do is here."
Xu Qingshan stretched out his finger and pressed it on the words he just wrote. There was a little too much ink on this one. After he pressed it on, there were some ink marks on his fingertips, but he didn't care. Instead, he started to think about what he needed to master and what he should contact next. .
"It's actually not difficult to show such a relationship, mainly"
Qiu Yong looked at Xu Qingshan with a little worry.
After all, he is from Huaqing University, not Beijing University. He has never seen the first scene of Xu Qingshan taking out something, and naturally he does not know the magic of Xu Qingshan making something out of nothing. .
It was just a matter of theory, so Qiu Yong finally chose to trust Xu Qingshan first.
"Lao Qiu, in the past few days, you should just keep an eye on Shangde. I need to sort this part out, look at my ideas, and look at the direction. If there is nothing important, don't disturb me. ”
Xu Qingshan's eyes were shining brightly, like a jackal that had seen its prey.
“Oh, okay.”
Qiu Yong had no objection, because if Xu Qingshan could really fiddle with this computing software, he would be able to make organic optoelectronics by himself or follow up with Suntech’s organic semiconductors. , can get great convenience and assistance.
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 my best to save some drafts as soon as possible, and then increase the number of words in a single chapter to advance the plot.
(End of this chapter)