Xueba's Sea of ​​Stars

Chapter 221 Quantum Chemistry
The International Collegiate Physics Competition is a top international competition officially sponsored by the American Physical Society and the American Astronomical Society.

It doesn't have the preliminaries and rematch like IPhO, which is such a fancy process, that is, colleges and universities all over the world who want to participate in the competition choose their own strong players to form a team, and then it's over.

The only requirement is that no one on the team has a bachelor's degree.

After reading the thesis sent by Wu Bin, Lin Ganwang raised his eyes, shook his head and said, "To be honest, it's a bit bullying for you to participate in the college student competition at your level."

After listening, Wu Bin replied: "I believe there are many good players from abroad."

"That's what you say." Lin Qianwang drank his saliva, "It is estimated that Director Jiang is embarrassed to let you participate in CUPT to bully his own people, so he let you beat foreigners."

"Huaguo Physics Competition?"

"En." Lin Ganwang nodded, "For a student like you who can publish "Science", the honor in the domestic competition is really not enough, and you may be called shameless by the teachers of other schools. In addition, I am worried. You have cast a psychological shadow on other outstanding college students in the country."

"Cough..." Wu Bin coughed dryly, "Professor, what you said is too exaggerated."

"Exaggeration?" Lin Qianwang took off his glasses, pointed at Wu Bin's paper and said, "I feel a little dizzy when you write this paper!"

"Russia..." Hearing Lin Ganwang's suddenly agitated tone, Wu Bin didn't know what to say for a moment.

And Lin Ganwang quickly put on his glasses again, regained his previous professor's demeanor and said slowly: "I am very pleased that you have listened to me and worked hard on calculating materials, and you can see from this paper How hard you have worked this summer, so your next project is to prepare three-dimensional reduced graphene oxide?"

"Yes, this is an unexpected discovery in my experiment. I found that graphene dispersion and nickel nitrate as precursors can prepare self-supporting three-dimensional reduced graphene oxide through a one-step hydrothermal method."

"Your thinking is really jumpy..." Lin Qianwang picked up a pen and tapped, "So after analyzing with X-ray diffraction and scanning electron microscope, you found that nano-NiO particles can be evenly dispersed on the surface of three-dimensional porous graphene?"

"Yes." Wu Bin nodded.

"What about the mass ratio of GO, NI and H2O?"

"1:4." Wu Bin said, took a pen, wrote down a series of data, and handed it to Lin Ganwang.

"Hmm..." Lin Ganwang nodded, "This is a new path, but I think it can be passed."

"Professor Lin, it would be great if you think so too." Wu Bin said with a smile.

Seeing Wu Bin's calm appearance, Lin Qianwang brushed his thinning hair, sighed and said, "Actually, you are already quite sure of this, don't you need me to think about it?"

"How could it be? If I really had that confidence, why would I need to come to Professor Lin to help me?"

"Yes." Lin Qianwang nodded, "I believe you once."

"Let's put the thesis aside and talk about what you think about computational materials science now."

"Experience?" Wu Bin waved his hand: "I have just chosen Mr. Lai's class, how dare I talk about my experience."

"Stop talking about that. How can I not know your level? It's boring to be so modest, you know?" Lin Qianwang decisively glanced at Wu Bin with a sharp look.

In fact, Wu Bin is really not humble. As for computational materials science, he has not systematically studied it. In fact, the details of many branches are not clear. He only carefully studied the one he needs. But now Lin Qianwang obviously has no intention of doing so. Let him go so easily.

So Wu Bin had to think for a while and said: "At present, I have read a lot of papers on molecular dynamics and Monte Carlo methods. If I want to talk about my experience, as Professor Lin told me before, I want to learn well. This course must have a solid foundation in quantum mechanics."

Lin Ganwang nodded after listening: "Then, have you learned about quantum chemistry?"

"Quantum chemistry?" Wu Bin was stunned: "It's a little bit of a concept, is it a basic subject that applies the basic principles and methods of quantum mechanics to study chemical problems?"

"So do you think there is a connection between computational materials science and quantum chemistry?"

"Oh, Professor Lin, well, I study physics..."

To be honest, when a chemistry professor asked a physics student such a question, Wu Bin really wanted to say, "You are making things difficult for me, Fat Tiger!"

"Oh yes, you are physics, I almost forgot." Lin Ganwang patted his forehead, "When you get older, sometimes your mind gets a little messy."

But judging from Lin Qianwang's slightly smug expression, Wu Bin always felt that he was really making things difficult for him!
If you want to talk about the reason, it is probably because I almost couldn’t understand the paper I wrote just now.

Pinching the bridge of his nose, Lin Ganwang said with a smile on his face: "In fact, physics and chemistry have always had a lot in common, and they are both committed to the study of the most subtle things, especially in materials science. You ask this question because you think you can get new inspiration from them."

To be honest, if it weren't for the corners of Lin Qianwang's mouth that curled up from time to time, Wu Bin would have almost believed it!But in the end, he showed an awkward yet polite smile and said, "I am very willing to listen to Professor Lin's teachings."

"It's not about teaching, it's about communicating with each other." Lin Ganwang waved his hand, "There are two kinds of calculations in materials science now. Some people do calculations on solid materials, including surface and catalysis, mainly using density functional theory."

Seeing Wu Bin nodding, Lin Ganwang didn't explain much, and went on to say: "The other part is doing quantum chemical calculations. There are not small differences in concepts and methods between the two groups."

"What about?" Wu Bin asked curiously.

"Simply speaking, computational materials science mainly deals with periodic crystals. Even the surface loses periodicity in only one direction, which is realized with a vacuum layer."

"Quantum chemistry deals primarily with molecules."

After listening, Wu Bin thought for a while and said, "But in fact, both of them are essentially using quantum mechanics to perform calculations, right?"

Lin Qianwang nodded: "Yes, so although there are some differences between them, there are still many similarities in general. Computational materials science is to obtain the electronic band structure as the main goal, while quantum chemistry hopes to obtain molecular The structure, bond energy, transition state and spectrum information of the

……

Then until dinner, Lin Qianwang seemed to be pretending to be cool... No, it should be said that he had almost explained clearly, and then he summed up and said to Wu Bin: "I hope you can understand these two methods, and you must will help you."

"Okay, thank you Professor Lin." Wu Bin, who had gained a lot, nodded to Lin Qianwang and left the office.

PS: Why is the holiday so short! (crying bitterly)
(End of this chapter)