Invited lectures are 60 minutes long, including Q&A. All invited and contributed talks are 40 minutes and 20 minutes long, respectively (also including Q&A). All oral presentations will take place in the 3rd floor of the University of Helsinki Main Building (Fabianinkatu 33) in either Room 12 (Wednesday) or Room 5 (Thursday and Friday). The poster session will take place in the 2nd floor.

Wednesday 10th April
Room 12
Thursday 11th April
Room 5
Friday 12th April
Room 5
9:00 – 9:30 Registration, welcome and coffee Coffee Coffee
9:30 – 10:30 Invited Lecture 1:
Chaired by Miguel Caro

Marika Schleberger
Ion Irradiation of 2D Materials: What we can learn from experiments (and what we cannot learn) (abstract)

Session 1:
Chaired by Alexandre Tkatchenko

9:30 – 10:10
Risto Nieminen (invited)
Modelling the growth and processing of tetrahedral amorphous carbon (abstract)

10:10 – 10:30
Santanu Saha (contributed)
Structural map of elemental carbon (abstract)

Session 5:
Chaired by Arkady Krasheninnikov

9:30 – 10:10
Tomi Laurila (invited)
Amorphous carbon materials – experiments and computational studies augmented by machine learning (abstract)

10:10 – 10:30
Alberto Milani (contributed)
DFT simulations of the Raman response of sp carbon-atom wires: from electron-phonon coupling to charge transfer effects (abstract)

10:30 – 11:00 Coffee break Coffee break Coffee break
11:00 – 12:00 Invited Lecture 2:
Chaired by Miguel Caro

Nigel Marks
Transferability of Carbon Interatomic Potentials: Lessons from Amorphous Carbon & Graphitization (abstract)

Session 2:
Chaired by Gábor Csányi

11:00 – 11:40
Kai Nordlund (invited)
Enabling more efficient antihydrogen production: MD simulation of transmission of antiprotons through thin carbon foils (abstract)

11:40 – 12:00
Marko Karlušić (contributed)
Opportunities for swift heavy ion irradiation of graphene at RBI (abstract)

Session 6:
Chaired by Lars Pastewka

11:00 – 11:40
André Schleife (invited)
Strain-dependent dielectric screening in a carbon nanotube and electronic response of graphene to proton irradiation (abstract)

11:40 – 12:00
Henrique Vazquez Muiños (contributed)
Early electron dynamics in graphene after swift heavy ion impacts (abstract)

12:00 – 14:00 Lunch Lunch Lunch
14:00 – 15:00 Invited Lecture 3:
Chaired by Hannes Jónsson

Alexandre Tkatchenko
Non-Covalent Interactions in Carbon-based Materials

Session 3:
Chaired by Nigel Marks

14:00 – 14:40
Arkady Krasheninnikov (invited)
Defects and new phases in graphene and related systems: insights from multi-scale atomistic simulations (abstract)

14:40 – 15:00
Susanne Leitherer (contributed)
A first-principles study of current-induced forces in carbon-based nanojunctions (abstract)

Session 7:
Chaired by André Schleife

14:00 – 14:40
Lars Pastewka (invited)
Plastic flow of amorphous carbon and the activation of shear transformations (abstract)

14:40 – 15:00
Max Veit (contributed)
Molecular and condensed-phase machine learning potentials for alkanes (abstract)

15:00 – 15:30 Coffee break Coffee break Coffee break
15:30 – 16:30 Invited Lecture 4:
Chaired by Hannes Jónsson

Gábor Csányi
Machine learned interatomic potentials for carbon and other elemental materials (abstract)

Session 4:
Chaired by Marika Schleberger

15:30 – 16:10
Hannes Jónsson (invited)
Is N- and B-doped graphene an efficient catalyst for the oxygen reduction reaction? (abstract)

16:10 – 16:30
Deb Sankar De (contributed)
Comparison of potential energy surface between carbon based and silicon based fullerene congurations (abstract)

Session 8:
Chaired by Flyura Djurabekova

15:30 – 15:50
Jörg Schuster (contributed)
Simulation of electron transport in realistic carbon nanostructures: the role of defects and the conductivity of macro materials (abstract)

15:50 – 16:10
Anja Aarva (contributed)
Understanding X-ray spectroscopy of carbonaceous materials by combining density functional theory with machine learning (abstract)

16:10 – 16:30
Patrick Rowe (contributed)
Machine learning potential for carbon using the Gaussian approximation potential (abstract)

16:30 – 17:30 Special session:
Status and prospects of modelling carbon materials
Chaired by Volker Deringer and open for contributions from the audience
2-minute poster presentations Prizes and farewell
(second floor)
17:30 – 18:00 Poster session
(second floor)
18:00 – 19:00 Dinner at Bryggeri
19:00 – 21:00