 Please, participants, you can start asking all our today's presenters and start the discussion with probably Prof Wage. He was indicating that he has some questions to Abdul. So Prof Wage, you can start. Thank you. I have a question to our friend from Egypt. Who talked about Coronavirus-19? Okay, so I am wondering if they have any tentative of fabrication of vaccine in their place. Because I see that now everywhere in the U.S., in Europe, people are trying to get a vaccine, again, COVID-19. And this is why I am asking a question if there are working on some vaccine also in Africa. Yes. So working on vaccine is mainly on the spike protein. Okay, because the spike protein is the most, I mean, most of the protein of the virus. So if you are working on a spike, you should be working as a vaccine or antiviral. So for me, working in Egypt at the biophase department, I am working on different variants, including the spike protein. And I am suggesting that there is a host cell recognition, which is GRB78. So I mean, if I have some type of inhibitor to this binding, I will share my screen for maybe I can show something. Okay, so if you are working with some hosts, this is a spike, yes, this figure. If you can see here, the spike protein is the most exposed protein. So if you are working on a spike, your workshop can be used or develop a vaccine. Because as you can see here in this figure, I recognize here this region, small region on the coronavirus spike that can be targeted by antibodies or any peptide or any vaccine candidate that can be used to contradict this binding. So I mean, if you have some antibodies that bind to this region, it will stop the recognition with the GRB78. So I mean, my work in the spike, it is, I mean, it can be used to develop a vaccine. Also, I can see here that there is a close vaccination between coronavirus disease 2 or SARS-CoV-2 and the immersive human coronavirus strains, which is the first four strains here. So I mean, we can develop a vaccine from low, low infectivity viruses strain, like these are the first four strains here. Do you have contact with some pharmaceutical company? No, for the vaccine development, no. But I have some contact with other protein, which is, I mean, it is not hostile, not hostile recognizing protein. So, but I want to say this is a computational work. So I don't have any verification, experimental verification of this work. And sure, I need to collaborate with some people that are working experimentally on the spike to test these inhibitors or this close vaccination probability or like this. Thank you. I wish I could, I mean, I wish my reply is enough for your question. Yes, yes, thank you. Yeah, thank you very much. Thank you. Any other question? Okay, Steve, I have a question. Okay. So, Steve, you know the code, the MCTDH code. There is this MCTDH-X, which most of people on the ultra cold atoms use to actually calculate the ground state and some dynamical properties. Yeah. Is it similar? Are they on the same flavor or this, the code that you are presenting is different? So actually, the people who develop the the one that developing the MCTDH-X code that you are talking about, did their PhD in Germany. Yes. So the code was initially developed in Germany in the theoretical chemistry lab. So they had the MCTDH code and the first developed one is what is called MCTDH-P for bosons. So one student who did this PhD, then moved to Vienna and started developing MCTDH-X from that MCTDH-P. So the same core is the same formalism at the bottom. The difference is that it's made to study system in circumcontabilization and straight identical particle, but the formalism behind is the same MCTDH formalism that was developed in 1990, more or less. So there's another version also that's called MCTDH-F for fermions. There's one for boson. This is more or less a combination of bosons and fermions, but MCTDH is also able to do in some specific cases identical particle treatment if you operate conveniently on the different particles. So does it really work with, for example, spontaneous quantum fluctuations? There was, anyway, there was, you know, in the quantum dynamics, if you take, for example, bosons where you have condensation and spin zero, and then after if you let it interact, you might have excitations to plus one and minus one spin. Due to the short-range interaction long-range interactions, this is usually would lead to what we call it spontaneous symmetry breaking. The spin one and the spin two might rotate completely in the opposite direction. And this is somehow missing on the MCTDH-X, because when you propagate in the base of time-dependent basis, the phase which is dynamically also propagates is somehow missing. So what I can comment about this is very not my quarantine of interest, but what I know is that it's not something that is finished. It's always a work in progress. So I'm pretty sure if you email the people in that community, they may find an interest in solving those type of questions and maybe extending the call to address those specific issues. I don't believe that the wave function, you have to find a wave function answer. So once you've given that wave function answer, you can more or less decide how you run the dynamics and what people, you know, or what does it do. Yeah. Okay. Thank you. Just last probably last question. Can you comment on how to get the potential surface? Okay. So if I have to deal with a small system, I usually have to go with as exact as possible I can. So I will go with this type of wave function base methodology. If I were to study bigger molecule would either use DFT or maybe try to build some kind of model potential that I can easily manipulate. So it's the same strategy as what you do in every case, but the specificity on what I'm trying to do is making sure that in the end, I get the potential that I can easily use like dynamical calculation. If you take for example, the case of the boson, you know, very well what type of interaction is and it's very easy to code inside the program. If you are dealing with the molecule because you have this many particle interaction, you have to start separating those many particle interaction into maybe one more to more interaction and there are many ways of doing it. It all depends. The starting point is doing electronic structure calculation describing your whole system giving a potential negative surface and how you decide to be interpreted. It's up to you at that point. The best you do it for a quantum dynamical code, the better it will be for running the dynamics later on. Yeah, okay. One last question on the chart from Stefani. Is the method used in MCTDAH registered in MRO? MRO is essentially for doing electronic structure calculation. So MCTDAH is specifically meant for dynamics. So with MRO, for example, if you want to study a molecule, you can obtain the vibrational spectra. You can obtain the infrared spectrum, but it's based on normal mode expansion of the system. With MCTDAH, you can go a little further than that. You can look at the dynamics. You can look at the product of the reaction. You can even study the interaction with light and try to work on the quantum control. So there's a lot more possibilities that you can do on the more pre-usually meant specifically to look at the electronic structure problem. So that's the difference. You have different type of information and most of the time you are on the two programs. So Stefani, please unmute your mic to continue some of the questions that you posed, please. Okay. What I understood, if I follow your next question, what I understood by standard method, we have to solve the independent Schrodinger equation. So you can write yourself, you'll decode yourself at home and just your launch quota equation and just do a wave packet propagation. That is straightforward. You don't have to use anything sophisticated to arrive at the solution. But when you do MCTDAH, the equation are a lot more complicated. So because you have to have these basic things evolving with time, you have to apply a variational principle, then you start having very complicated equation that you have to solve and implement in a course. So the standard method is probably something that you can code quite easily yourself. This MCTDAH method, you can probably do it, but it will take you several months or a year to be able to have something that is perfectly working. Okay. Please, do you have some questions to the other speakers too? Thank you, Steve. Thanks. Please, Ali. Okay. Thanks, Garu. I have a question for Stefan. So Stefan, I really enjoyed your talk and I'm glad that you're moving into the water business finally. So one of the things you showed was that the waters are polarized near the interface. But there are two points here. One is it seemed like the simulations that you have, you don't really have a bulk phase of water, right? It's just a layer. It's a monolayer. So okay, one has to be very careful about understanding if those effects that you see are just an artifact of having a monolayer. So that's number one. Number two, let's assume that that's not an artifact. If there was this orientational polarization of water at the interface, this would have an implication on the fields at the interface, and this could have a very important implication on chemistry, right? Because these fields are the things that will drive chemical reactions. So yeah, I just wanted to get your perspectives on this. So you're absolutely right because electro-catalysis is also one of the meaning that we want to do. So we want to see how the current drives reactions. This is actually the first thing we want to do. And then I have a question now. It's more a technical one. It's about how to, I mean, to see the impact of this electric field at the interface. I mean, technically, I'm not well equipped to address it. So this is why in our private chat I was happy when you said that we could do something about it. So this is something that would be very important and relevant for us here. So what we plan to do concerning electro-catalysis was to move towards this Norsecov approach, which is, I mean, actually best for metals and then gas phase molecules, right? If actually you go to oxide and then on top of this complete mechanism that oxide brings and on top of that, you go to bulk water. I don't know how to handle Norsecov mechanism there. You see, I don't know if one has to go and take snapshot of equilibrium, snapshot of equilibrium, snapshot of equilibrium, let's say trajectories of the MD and then average overeat or I don't know, but I really don't have an idea. So I will be happy to have an expert like you. Well, I know nothing about Norsecov when I know about it. But no, no, I know about the method. But I think this is an interesting discussion to have with also Nikola and Ralph because they do this type of stuff. And so yeah, anyway, no, thanks. We'll talk about this later, of course. I think we can have one more, probably one more question. Because we are running out of time. We need to come back after one hour. So just one last question, please. Okay, so I think we have to close for probably now. I don't see hands or I don't see someone wants to ask on the chat. So we will come back after one hour. We really thank you for all the speakers. It was a great pleasure to actually to listen to all of you. And I'm sure we will continue the interaction and we will actually create and use this platform to continue our collaboration as well. So see you later, guys. Thank you. Bye.