IAEA Technical Meeting on Uncertainty Assessment and Benchmark Experiments for Atomic and Molecular Data for Fusion Applications

19-21 December 2016, IAEA Headquarters, Vienna, Austria

Meeting reference: IAEA-A9-TM-52452.

View Meeting Information Sheet (PDF file)
Download Abstract Template (MS Word file)
Download IAEA Participation Form A (MS Word file)
Download IAEA Abstract Submission Form B (MS Word file)
Download IAEA Grant Application Form C (MS Word file)

Meeting room: M02

Abstracts are availalbe at the Abstracts page .

Presentations are available at the following agenda.




Monday,  December 19th, 2016

09:30     Welcome address by Director (M. Venkatesh) and Section Head (A. Koning)

              Meeting Objectives (B. Braams)

Atomic and Molecular Data Needs for Fusion Applications (Chair: B. Braams)

09:50     R. Barnsley, Atomic and molecular data at ITER- status and prospects

10:10     D. Reiter, Atomic, Molecular And PMI Database In Current Edge Plasma Transport Codes, And Forward Sensitivity Analysis

10:30     D. P. Stotler, Sensitivity of Tokamak Transport Modeling to Atomic Physics Data: Some Examples

10:50     T. Nakano, Contribution of quantitative spectroscopy to fusion plasma research

11:10     Coffee Break

11:30     U. von Toussaint, Bayesian Approaches to Uncertainty Quantification in plasma-wall interaction modelling

11:50     K. Fujii, Bayesian Inference for the LHD Experiment Data

12:10     I. Zhang, Application of atomic data to W spectra on EAST tokamak

12:30     Lunch

Theoretical Molecular Collision Data (Chair: C. Ballance)

13:50     J. Tennyson, Uncertainty quantification in calculations of molecular processes

14:10     B. K. Antony, A Stepwise Procedure to Explore Uncertainty and Reliability in Theoretical Cross Section Data for Electron and Positron Scattering

14:30     V. Kokoouline, Uncertainty evaluation in theoretical calculations of cross sections for electron-molecule collisions

14:50     Coffee Break

Experimental Molecular Collision Data (Chair: A. Müller)

15:10     G. García, Evaluated electron and positron-molecule scattering data for modelling particle transport in the energy range 0-10000 eV

15:30     J. Fedor, Dissociative electron attachment cross section in H2 and D2 at the 4 eV resonance

15:50     E. Krishnakumar, Recent developments in absolute cross section measurements for dissociative electron ionization of and attachment to molecules

16:10     Priorities of A&M Data for Fusion Applications (Chair: D. Reter and I. Murakami))

Poster Session (Portrait mode 150 cm x 120 cm)

16:50     Poster Session

17:30     Reception / Poster Session


Tuesday,  December 20th, 2016

Theoretical Atomic Collision Data (Chair. T. Kirchner)

09:00     K. R. Bartschat, Estimating Uncertainties of Theoretical Data for Electron Collisions with Atoms and Ions

09:20     D. Fursa, Electron scattering from molecular hydrogen

09:40     C. Ballance, The integrated propagation of atomic structure and collisional uncertainties through to plasma diagnostics

10:00     J. Colgan, Theoretical Approaches to Electron-Impact Ionization

10:20     O. Zatsarinny, Benchmark calculations for electron collisions

10:40     Coffee Break

Experimental Atomic Collision Data (Chair: G. Garcia)

11:00     A. Wolf, Storage-Ring Merged Beams Experiments on Electron.Ion Recombination: Benchmarking and Accuracy Limits

11:20     M. Kitajima, High-resolution Measurements of Total Cross Section for Electron Scattering from Atoms and Molecules at Very-low-energy

11:40     A. Müller, Experimental Studies on Interactions of Atomic Ions with Single Electrons

12:00     H. Tanuma, Atomic and Molecular Data provided by Multiply Charged Ion Beam Collision Experiments at Low Energies

12:20     Lunch

Theoretical Heavy Particle Collision Data (Chair: J. Colgan)

13:40     L. Mendez, Numerical calculation of charge exchange and excitation cross sections for plasma diagnostics

14:00     I. Tolstikhina, Charge exchange in slow collisions of ions with Hydrogen isotopes. Adiabatic approach

14:20     T. Kirchner, Basis Generator Method Calculations for Charge-Transfer Collisions Involving Few-Electron Systems

14:40     Coffee Break

Experimental Heavy Particle Collision Data (Chair: E. Krishnakumar)

15:00     R. Ali, Experimental Studies of the Energy Dependence of State-Selective Non-Dissociative Single Electron Capture in He2+ on H2 Collisions

15:20     W. Wolff, Multiple ionization of atoms and molecules by impact of light charged ions at the intermediate energy range

15:40     P. M. Limão-Vieira, Charge transfer processes in atom-molecule collision experiments

16:00     Benchmark of  atomic, molecular, heavy particle collision theory and experiment (Chair: K. Bartschat and J. Tennyson))


Wednesday, December 21th, 2016

Data Evaluation and Uncertainty Propagation (Chair: T. Nakano)

09:00     H. Chung,  IAEA Evaluation Activities

09:20     I. Murakami, Evaluation on Atomic Data and Collisional-Radiative Models for Spectroscopic Diagnostics and Collaboration Network in Japan

09:40     M. Bautista, Uncertainties in Atomic Data and their Propagation

10:00     A. G. Császár, Uncertainty quantification of ideal-gas thermochemical functions

10:20     Coffee Break

Atomic Data Evaluation (Chair: D. Fursa)

10:40     G. W. F. Drake, Uncertainty Estimates for Atomic Structure Calculations

11:00     P. Jonssen, Assessing Uncertainties for Theoretical Atomic data

11:20     N. Nakamura, Observation and Identification of Tungsten Spectra Observed with an Electron Beam Ion Trap

11:40     R. Hutton, Benchmarking Visible Spectral Line Data

12:00     D.-H. Kwon, Theoretical Electron Impact Ionization, Recombination, and Photon Emissivity Coefficient for Tungsten Ions

12:20     Lunch

13:40     Y. Yang, KLL DR resonant strengths

Molecular and Heavy Particle Data Evaluation (Chair: V. Kokoouline)

14:00     G. Karwasz, Electron Scattering on Molecules: Partial Cross Sections

14:20     J.-S. Yoon, Data evaluation of helium and its isotopes

14:40     A. M. Imai, First Step Benchmark of Inelastic Collision Cross Sections

15:00     Coffee Break

15:40     A&M Experimentalist Network (Chair: A. Wolf)

16:20     Meeting Conclusion


Poster Presentations

A. A. Buchachenko  Ab Initio Studies of the Collisions Involving Lanthanide Atoms and Ions

K.-B. Chai               Plasma Emission Spectroscopy When There Is Magnetic Reconnection Associated with Rayleigh-Taylor Instability in the Caltech Spheromak Jet Experiment

J. Liu                       A+M Data Application in EAST Tokamak Edge Simulation of Impurity Seeding Plasma

I. F. Schneider         Resonant electron-molecular cation collisions in the edge plasmas of fusion devices: new state-to-state cross sections and rate coefficients

V. Stancalie             Studies on the Electron-Correlation and Relativistic Effects in Target Representation and Low-Energy Collision Calculation

P. Verma                 Electron Scattering By Silane


Group photo(4MB)


Computer simulations play a critical role in understanding physical and chemical systems. In the last decades verification, validation and uncertainty quantification (VVUQ) of computer simulations has become an important research topic in the physical and chemical sciences and engineering. In support of optimization-based design of a fusion reactor and high precision diagnostics of plasmas in fusion devices the IAEA Atomic and Molecular (A+M) Data Unit has been pursuing VVUQ activities for theoretical A+M data. Our objective is to encourage and support the data development community to provide data users with reasonable uncertainty estimates for calculated A+M data and especially for calculated cross sections. After a series of meetings and discussions with theoretical atomic physicists organized by the Unit it has become clear that the VVUQ methods for theoretical data should develop in collaboration with experimental physicists and benchmark experiments.

Meeting Objectives

The meeting is meant to advance data-oriented research on A+M processes and properties that are important for plasma simulations and plasma diagnostics for fusion energy development and other plasma applications. Leading theoretical and experimental A+M physicists are invited along with plasma physicists using A+M data to discuss uncertainty assessments and benchmark experiments for A+M data for fusion and other plasma applications. The discussion topics are as follows:

Among other things the meeting will identify the most important data needs for fusion applications, decide what can be done to benchmark those data and formulate a plan of action among experimental and theoretical A+M physicists to carry out this benchmarking and perform the associated uncertainty assessment. Questions to be addressed include: The discussions should lead to specific proposals for measurements to set new benchmarks for prioritized data. These measurements will obviously be very difficult in some cases, but they will set the standard. Along with the discussions about new benchmark experiments there will be discussions and proposals about suitable theoretical methods to compute these data, and how and by whom this can be done. The calculations should be accompanied by a full discussion of the inherent uncertainties.

Documents and Publications

A preliminary programme of the meeting will be made available on the meeting web page. The final programme and the Book of Abstracts will be available upon registration at the meeting. A meeting report will be produced on the basis of the proceedings of the meeting. The report will summarize presentations, discussions and recommendations contributed by the meeting participants.

Scientific Advisory Committee

Invited Speakers


Invited speakers are identified with help from the Scientific Advisory Committee. Information for contributed presentations is provided here.

Anyone other than invited speakers wishing to present a contribution (poster or talk at the discretion of the organizing committee) should send an abstract direct to the organizers at IAEA and should send Forms A and B (and Form C if financial assistance is to be requested) to their competent official authority (most often an office within their national Atomic Energy Authority) for subsequent transmission to the IAEA.

Submission of abstracts

Participants wishing to present a paper during this meeting must submit a one-page abstract as an email attachment before 24 August 2016. The abstract submission email must contain the author's name, affiliation and email address. Please use a filename in the format Lastname.Initials.ShortTitle.filetype. The abstract should be submitted by email to: [email protected]

Please use page size A4 (21 cm by 29.7 cm), vertical orientation and margins of 25 mm on all sides. Please use Times New Roman (TNR) font throughout and then:

The length is limited to one page. Here is an Abstract Template (MS Word). Authors must make sure that the files do not include copyrighted fonts or other impediments to reproduction.

Acceptance of papers/posters

Authors will be informed by 1 September 2016 as to whether their abstract has been accepted by the Scientific Advisory Committee. At the same time, authors will be advised as to whether their paper has been accepted for oral presentation or for presentation as a poster.


No registration fee is charged to participants. As a general rule, the IAEA does not pay for travel and living expenses of participants. However, limited funds are available to help meet the cost of attendance of selected specialists, mainly from developing countries with low economic resources. If governments wish to apply for a grant on behalf of one of their specialists, they should address specific requests to this effect to the Scientific Secretary of the meeting. Governments should ensure that applications for grants:

Awards will be announced after 1 September 2016.

Key Deadlines

Venue, Accommodation, Travel and Visa

The meeting will be held at IAEA Headquarters (conference room M2) in the Vienna International Centre (VIC), home of the United Nations in Vienna. The VIC has a stop on the U1 metro line; at that stop VIC visitors should exit the platform at the end away from the city centre.

The IAEA Meetings web page provides information about visiting Vienna. Note the link there to a hotel list including IAEA negotiated rates for meeting participants.

Designated participants who require a visa to enter Austria should submit the necessary application to the nearest diplomatic or consular representative of Austria as soon as possible. The official letter of invitation from the IAEA usually serves to assist with visa arrangements.

Related Meetings

The Joint IAEA-NFRI Technical Meeting on Data Evaluation for Atomic, Molecular and Plasma Material Interaction Processes in Fusion was held in Daejeon, Republic of Korea, 4-7 September 2012.

The Joint IAEA-ITAMP Technical Meeting on Uncertainty Assessment for Theoretical Atomic and Molecular Scattering Data was held in Cambridge, Massachusetts, USA, 7-9 July 2014.

The Atomic and Molecular Data Unit has organized many other Meetings on uncertainty assessment, data evaluation, and specific evaluations.

The present event has been advertised on several meetings lists and news lists (thank you!) and these lists may be a good source of information about other events of related interest.


The scientific secretary of the meeting is Hyun-Kyung Chung of the Atomic and Molecular Data Unit, Nuclear Data Section, Division of Physical and Chemical Sciences (NAPC), Department of Nuclear Science and Applications (NA). Email: [email protected]