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Important events and news

In this section, we provide an overview of the events and workshops conducted within the scope of the project. This section also contains information about updates of the lectures and tutorials.

5-6th of Septemer, 2024

Information about the introduction to DFT at the NTNU, Norway. The course was intended to:

The course attendees can download the presentation from the following link. Second unfinished presentation "Introduction into AI and machine learning" download here.

29th of September, 2023 - final project remarks

We would like to thank all of the people who participated within this project and also to all who contributed to its outputs. Thanks to this project we were able to organise many meetings, mutual visits with the project partners in CZ and NO and also prepare the online tutorials reflecting requirements of our students and university staff for atomistic simulations.

The work we started as part of this project is not finished, because we are still in a close contact with our Norwegian colleagues and we also plan to update and extend the on-line lectures according to the needs of our students.

4-5th of Septemer, 2023

Beyond of the project scope, we organised another course focused on the introduction to DFT at the NTNU, Norway. The course was intended to:

The course attendees can download the presentation from the following link. Second unfinished presentation "Introduction into AI and machine learning" download here.

26th of May, 2023 - Workshop: Short introduction to molecular dynamics simulations

In cooperation with our fellow partners from Norway, we successfully held a workshop on atomistic simulations in 2022. Recognising that some colleagues were unable to join us, we have decided to organise a similar workshop again this year. The focus of the workshop will closely resemble that of last year’s event; however, this time, it will be a brief one-day introduction to molecular dynamics and the LAMMPS code. Detailed information about this event can be found in the following announcement or in the text provided below.

Workshop details:

Workshop time schedule:

25th of May, 2023 - Workshop on atomistic modelling in Brno area - MAMBA

Final remarks

Thank you for your participation in the workshop on atomistic modelling - MAMBA. We hope you found it informative and enjoyable. This event not only allowed us to delve into our field of research, but also provided a wonderful opportunity to meet in person. Your presence and contributions were greatly appreciated, and we look forward to a future cooperation.

Update - see below for the workshop details

Last year we organised a workshop on atomistic modelling in cooperation with our colleagues from Norway. During the workshop, I enjoyed the opportunity to talk with you and some of you came up with the idea of organising another workshop where we can exchange our experience in atomistic simulations. There is a significant interest in atomistic modelling here in Brno, with many people engaged in various topics within the same area of expertise. Therefore, in cooperation with Prof. Miroslav Černý, we decided to organise this workshop. Our three colleagues from NTNU Norway will also be joining us, as they will be visiting our university during these days. The workshop presents an outstanding opportunity to:

The workshop will be held at the Faculty of Mechanical Engineering, Brno University of Technology, Technicka 2896/2, Brno, CZ on 25th of May, 2023. For the location details, please refer to the map . Further information can be found in the announcement flyer.

Organisational information about the workshop:

September - November, 2022

Training lectures on ab initio simulations, an introduction to e-learning courses and their implementation into the multi-scale modelling of materials behaviour performed by the partner group - that was the purpose of Dr. Petr Šesták’s two-week visit to NTNU.

The PowerPoint presentation from the introductory lecture on Density Functional Theory (DFT) can be downloaded here .

Note:

One day, in the late afternoon, it was possible to enjoy a group event called “Mushroom picking”. Thus, in addition to the scientific and lecture activities planned during the visit, the participants had the opportunity to learn about mushroom hunting in Norway. After this event, it must be admitted that collecting mushrooms in the Czech Republic and Norway is fundamentally different. Those who are interested in mushroom picking can watch a YouTube video about the most common type of mushroom in Norway, “Traktkantarell”.

August, 2022 - Workshop on atomistic simulation

As part of this project, we are organising a workshop that provides a basic introduction to molecular dynamics simulations with the title „Atomistic modelling and molecular dynamics simulations in nanomechanics”. This workshop is scheduled to take place at Brno University of Technology from 2nd to 4th August, 2021. Within this event, three colleagues from our partner institution in Norway will visit our institute in Brno and deliver lectures on molecular dynamics simulations using the LAMMPS code. Further details about this event can be found in the flyer and in the organisational details.

Here, we summarise some information about the workshop:

We would like to thank all participants and our colleagues from Norway for the pleasant and stimulating workshop. We hope you enjoyed the event.

June, 2022

As part of a different project, we attended the ECCOMAS 2022 Conference that was held in Oslo, Norway. It was a unique opportunity to meet our colleagues from Norway and discuss upcoming project activities.

October, 2021 - Visit to our Norwegian partner at NTNU

In October 2021, we had the opportunity to visit our project partner at the Norwegian University of Science and Technology. Within this visit, we gained insight into our partner’s ongoing research projects. It should be noted, that in most cases, these projects serve as research topics for master’s and PhD students. During our visit, we organised a two-day workshop on the introduction to ab initio calculations, presented our ongoing research topics to our partner, and participated in group meetings in the Nanomechanical lab.

Surprisingly, this visit went smoothly in light of the pandemic situation, as all Covid restrictions had been lifted throughout Norway one week prior to our arrival. It was wonderful to witness how people in Norway started to live a full life again.

Presentations for download

Here we summarize all our presentations made during the project for all people people who attended our events.

descriptionfile to downloadauthor
DFT introduction - Nanomechanics course organized at NTNUDFT_Nanomechanics_lecture_2023Petr Sestak
Basic introduction into machine learning potentials - NTNU research group meetingML_presentation_introduction.pptxPetr Sestak
MLFF - MD with almost DFT precision - workshop August, 2022presentation.pptxPetr Sestak
Molecular Dynamic Simulation theories and principles - workshop August, 20225.26_MD_Tutorial.pptxYifan Zhang
Lammps Tutorial - workshop August, 2022Lammps_Tutorial.pdfRui Ma
Lammps_Tutorial_1-2 - workshop August, 2022Lammps_Tutorial_1-2.pdf
Lammps_Tutorial_3-4 - workshop August, 2022Lammps_Tutorial_3-4.pdf
Molecular Dynamics Simulations - workshop August, 2022Molecular_Dynamics_Simulations.pdfSenbo Xiao