Trygve Helgaker and Kenneth Ruud. New Tools New Opportunities New Discoveries

Transcription

1 Trygve Helgaker and Kenneth Ruud New Tools New Opportunities New Discoveries

2 Motivation New experimental facilities revolutionize how we study matter unprecedented resolution in time and space Revolution in computation needed to seize new opportunities we will develop, apply, and distribute the necessary computational tools

3 Challenges Millions of atoms in short laser pulses and strong fields local and global processes occurring over short and long time scales Modeling of such processes poses a wall of challenges forcing us to take fresh look at computation Tear Down The WalL!

4 Research

5 Leadership Directors Trygve Helgaker, UiO, 306 papers, H-index 69, citations, ERC AdG Kenneth Ruud, UiT, 289 papers, H-index 52, 9600 citations, ERC StG Principal Investigators international team with broad backgrounds in chemistry, physics, biology Exceptional young researchers

6 Organization

7 Hylleraas Centre theory and computation to understand, interpret, and predict new chemistry, physics, and biology

8 Additional Slides

9 Objectives Primary Objective develop an integrated approach to the investigation of complex molecular systems in electromagnetic fields and extreme environments Secondary Objectives develop accurate, reliable, scalable electronic-structure methods for complex systems develop multiscale methods with quasi-atomistic/mesoscale resolution, spanning orders of magnitude in space and time develop novel multiscale methods for calculating and predicting new spectroscopies in strong fields and short pulses develop models and understanding of the squeezed chemistry of extreme magnetic fields and pressure develop new computational approaches to optimize and control chemical transformations understand the structure and dynamics of macromolecules at membranes and interfaces train a new generation of theoretical chemists establish national courses in theoretical chemistry provide new software to the international community at no cost

10 Research Themes

11 Staff

12 Focus Bienniums and Regular Events

13 Funding over 10 years Basic Funding: 217 MNOK Own funding: 59 High Performance Computing: 28 Research Council funding: 130 External Funding: 155 MNOK at least one ERC grant and four RCN grants at any time In-kind Contributions: 96 MNOK 5 PIs and 1 Associate Professor (50% positions) 2 senior engineers (100% positions)

14 Expenses over 10 years (MNOK) events: 7 misc: 5 overhead: 20 2 directors: 29 2 admins: 18 HPC: PhDs (3 years): 35 visitors: 30 1 researcher: 8 17 postdocs (3 years): 36

15 10-Year Budget Budget attachment to SFF-IV call v 2 ( ) 10 year budget for Centres of Excellence (SFF) in call (SFF utlysning IV) The budget relates to the 'SFF's Basic funding'. Indicate 'SFF Additional funding' in the 'Total SFF funding plan' below the main tables at the bottom of the page See call details for definition of 'SFF Basic funding' and 'SFF Additional funding'. Only budget figures for the SFF's first five year period are to be entered in the budget section of the electronic application form. all numbers in NOK Totals Cost plan Payroll and indirect expenses Procurement of R&D services Equipment* Other operating expenses* Totals Cost code Trade and industry Independent research institute Universities and university colleges Other sectors Abroad Totals Funding plan Own financing International funding Other public funding Other private funding From Research Council* Total SFF Basic funding Numbers inside box must be entered in corresponding fields in the budget part of the electronic application form * Centres that will be carrying out research in areas with particularly high operating costs can apply for up to NOK 5 million per year from the Research Council in addition to the framework of NOK 8-13 million The costs are to be entered as "Equipment" if they involve use of research infrastructure. Otherwise they should be entered under "Other operating expenses". Please specify these costs below (rows 43-45). Centres applying for additional funding for particulary high operation cost, must submit a separat document (se template in call pages) detailing the cost items and what research activities they relate to. Total SFF funding plan Totals SFF Basic funding Already secured external project funding** Estimated future external project funding** Total SFF funding **We ask for the actual external funding (revenue) from projects. If the SFF Basic funding is used as "own financing" in external projects, this financing is not to be included as part of "external project funding". Specification of particularly high operation costs Totals Equipment Other operating expenses Total cost