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 does not have preliminaries like IPhO, and the fancy process of semi-finals is that colleges and universities around the world who want to participate select strong players to form teams, and then they are done.

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

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

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

"That's right." Lin Qianwang took a sip of water: "I guess Director Jiang was embarrassed to let you participate in CUPT to bully his own people, so he asked you to fight foreigners."

"The Chinese Physics Competition?"

"Yeah." Lin Qianwang nodded, "For a student like you who can publish "Science", the honors in domestic competitions are really not enough. You might even be called shameless by teachers from other schools. In addition, you are probably worried. You have cast a psychological shadow on other outstanding college students in the country."

"Ahem..." 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!"

"Oh..." Wu Bin didn't know what to say when he heard Lin Qianwang's sudden excited tone.

Lin Qianwang quickly put on his glasses again, resumed his previous professor's demeanor and said slowly: "I'm very pleased that you listened to me and worked hard on computing materials, and you can see it from this paper. How hard have you studied 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 are used as precursors to prepare self-supporting three-dimensional reduced graphene oxide through a one-step hydrothermal method."

"You are really quick-thinking..." Lin Qianwang picked up a pen and tapped it, "So after using X-ray diffraction and scanning electron microscopy analysis, 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 bunch of data, and then handed it to Lin Qianwang.

"Hmm..." Lin Qianwang nodded, "This is a new road, but I think it can be taken."

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

Seeing Wu Bin's calm look, Lin Qianwang brushed his thin hair and sighed: "You are already quite sure of this, right? Do you still need me to feel it?"

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

"That's right." Lin Qianwang nodded, "I'll trust you once."

"Then put the paper aside for now and talk about your current experience in computational materials science."

"Experiences?" Wu Bin waved his hand: "I just chose Teacher 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: "Currently, I have read more papers on molecular dynamics and Monte Carlo methods. If I want to talk about my experience, as Professor Lin said to me before, if I want to learn well This course must have a solid foundation in quantum mechanics.”

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

"Quantum chemistry?" Wu Bin was stunned: "It has a little concept. It is a basic discipline that applies the basic principles and methods of quantum mechanics to study chemical problems, right?"

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

"Oh, Professor Lin, um, I major in 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 in physics, I almost forgot." Lin Qianwang patted his forehead, "As I get older, sometimes my mind gets a little messy."

But judging from Lin Qianwang's slightly proud 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 Qianwang said with a smile on his face: "In fact, physics and chemistry have always had a lot in common. They are both dedicated to studying the smallest things, especially in materials science. They can learn from each other. The reason why I want to 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 lips that raised from time to time, Wu Bin would have almost believed it! But in the end, he showed an awkward but polite smile and said: "I am very willing to listen to your teachings, Professor Lin."

"Teaching is beyond the question, let's communicate with each other." Lin Qianwang waved his hand, "There are two types of calculations in materials science. Some people do solid material calculations, including surface and catalysis, mainly using density functional theory."

Seeing Wu Bin nodding, Lin Qianwang stopped explaining and continued: "The other group is doing quantum chemical calculations. There are quite a few differences between the two groups in terms of concepts and methods."

"What about?" Wu Bin asked curiously.

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

"Quantum chemistry mainly deals with molecules."

After hearing this, 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, generally speaking, they still have a lot in common. Computational materials science is the main goal of obtaining the electronic band structure, while quantum chemistry hopes to obtain the molecular structure." The structure, bond energy, transition state, spectrum and other information.”

…

Then until dinner, Lin Qianwang seemed to be pretending to be cool... No, it should be said that he had almost made it clear, and then he summed it up and said to Wu Bin: "I hope you can understand these two methods. I must It 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 like tears)