Chapter 336: Nuclear Weapons in Computational Chemistry! (3/3)

Any scholar would be ecstatic to hear this simple request.

After all, supercomputing is very expensive, even if it is rented, it is not cheap, and David's promise is equivalent to millions or even tens of millions of funds. In contrast, his requirements are merely a position in a dissertation research institute. The name of the Sha Institute.

After hearing David's trivial request, although Lu Zhou was not as ecstatic as those poor theorists, he still felt a lot of surprise from his request.

Compared with the research in the field of application that is profitable, the research in the theoretical field will definitely lose money, and it will definitely lose a lot of money.

For such an internationalist request, Lu Zhou naturally would not refuse.

Nodding, he happily said, "It's easy. ”

……

In a sense, Lu Zhou's choice of Anton to carry out this experiment is inevitable to a certain extent.

General-purpose supercomputers are not very efficient in molecular dynamics simulations.

However, Anton does the computational work entirely on a dedicated ASIC, and every chip is built for computational chemistry.

With a total of 512 nodes, it can simulate more than 17,000 nanoseconds per day in a protein-water system composed of 23,558 atoms.

In contrast, for a general-purpose supercomputer with the same number of processors, the simulation rate of parallel computing on the same chemical system can only reach the level of hundreds of nanoseconds per day.

It is for this reason that Anton is called the nuclear weapon of computational chemistry.

I have to say that David is indeed a genius.

This is true in finance, massively parallel computing, and polymer chemistry.

If it weren't for the fact that Anton was too expensive for the average research institute to use, perhaps one day in the future, the Nobel Committee would even consider nominating him.

Like the biologist Jacques Dupochet, who was nominated for the Chemistry Prize in '17 for cryo-EM......

After letting Jericho drive back in his own car, Lu Zhou sent an application to Columbia University through Princeton University to be a visiting scholar here for a month.

For a well-known scholar like him to visit, Columbia University naturally welcomed it with open hands. Even in order to facilitate his research, a temporary dormitory was arranged for him near the research institute.

Under the condition of sufficient funding, it is always easier to reach a consensus on theoretical research that does not involve patent disputes than research in the field of application.

Especially for the two who are not bad for money, even more so.

After signing a collaborative research agreement, the scope of work of both parties and the issue of authorship of the paper were simply stipulated, and the experiment was quickly arranged.

David also showed the utmost importance to the collaborative research project between the two.

Not only did it push off the experimental arrangement in the original plan. The full strength of the Sha Institute, into this work.

Soon, Lu Zhou saw Anton's strong combat effectiveness.

On the day of the experiment, inside the Anton Supercomputing Center.

Massively parallel computing projects sit in front of the computer and wait.

Lu Zhou and David stood behind and watched, quietly waiting for the experiment to begin.

"Test Group 1 is in place!"

"Experimental Group 2 is in place!"

“……”

"Let's start experimenting!"

The blue traffic lights were flashing continuously.

In the virtual digital world, Anton simulates the mathematical model provided by Lu Zhou with his powerful computing power.

The first experiment, which lasted a full nine hours!

Unfortunately, the results of the experiment were not ideal.

Looking at the experimental report submitted by the engineer of the supercomputing center, David frowned and said a little nerve-wracked.

"The mathematical model you've come up with is just too complex...... Is there a way to simplify? ”

"I've tried to simplify, but it's difficult." Lu Zhou shook his head.

If it could be simplified, he would have done it a long time ago, and he would not wait until now to think about it.

"That's just for me to figure it out," David touched his chin and thought seriously.

He is not an expert in the field of mathematics, and he may not be able to simplify those complex mathematical equations, but from the perspective of parallel computing, it is theoretically possible to make Anton more efficient by improving the software.

Lu Zhou said seriously: "Please." ”

"You're welcome," David said jokingly, waving his hand, "at least for now, the mathematical models you've come up with are within Anton's reach. But if it's a little more complicated, I'm afraid you'll have to wait until quantum computers mature to refine your theory. ”

……

Lu Zhou's visiting research at Columbia University is not something that deserves to be kept secret. Sha Institute, the news quickly spread on the campus of Columbia University.

Many people are full of curiosity about this Cafford Prize and Adams Chemistry Prize winner who is only in his twenties. Few people can achieve such outstanding results at such an age, especially in the two very different fields of mathematics and chemistry.

Of course, it is not the students of Columbia University who are most interested in Lu Zhou, but his rival in the lithium-sulfur battery project, Mobil Chemical.

The slightest bit of wind and grass on Lu Zhou's side will make them nervous.

Not to mention, such a big move......

Binghamton University, Institute of Materials Science.

Woods, who had just finished a meeting in New York, rushed here in a hurry.

"Bad news! Lu Zhou found David Shaw and borrowed supercomputing from him. ”

Stanley wasn't too surprised by the news Woods provided, but he still cast a surprised look at him: "Is it okay for you to run to the lab twice in three days?" ”

This kind of thing that can be clearly explained in one sentence can be said on the phone. In addition to this battery material, the CEO of ExxonMobil should have a lot of important work to deal with.

"As long as you can get ahead of them and make a result," Woods said as he sat on the couch in the lab, his expression a little gloomy and he cursed, "It's bad luck!" Why did Lu Zhou suddenly find David Shaw, and why was he the freak who didn't eat oil and salt? ”

If it is working with other labs, ExxonMobil can use its influence to put pressure on the labs that have financial connections through its own funded research funds, so that they can delay the progress of their research.

However, David Shaw is an exception, this guy is a well-known freak on Wall Street, who is obviously a fund, but he is not interested in money at all.

"It's normal, one of them does computational materials, the other does computational chemistry, and it's not surprising that they will urinate together." Standing in front of the scanning electron microscope and waiting for the results of the experiment, Professor Stanley said with a relaxed expression, "You don't need to be so nervous, no matter how perfect the mathematical formula or theoretical model is, if it can't be finally implemented in the experiment, it is all a false guess." ”

What if you're good at math?

What if you borrow a supercomputer?

Computer simulations are a promising method, but they have to be implemented in concrete experiments.

Summing up experience through continuous trial and error and finding a way to the key point is the only way for all materials science experiments.

Luckily, they now know the answer, and all they need to do is write the process along with the answer.

Woods said a little impatiently, "What I want to know now is, how far are we from the finish?" ”

Staring at the molecular model on the screen, Professor Stanley smiled lightly.

"It's close!"