Description |
The Abdus Salam International Centre for Theoretical Physics is organizing a Workshop on Advanced Techniques for Scientific Programming and Management of Open Source Software Packages, to be held at ICTP (Trieste, Italy) from 10 to 21 March 2014, followed by a one-week LAMMPS Users and Developers Worskhop and Symposium. Modern scientific research work involves using computers for simulation, modeling, data processing and visualization. The growing complexity of those calculations favors using software packages that provide an abstract interface to computations through scripting language interfaces, modular software design, and code reuse. Such design patterns also facilitate transparent optimizations for modern multi-core architectures or accelerators, and specialization of contributors to subsets of a package program. Software package developers therefore need to learn how to work effectively in a collaborative environment. This Hands-on Workshop focuses on disseminating best practices and building fundamental skills in creating, extending and collaborating on modular and reusable software frameworks with a scripting language interface. The curriculum also covers using modern collaborative software management tools, testing frameworks, and embedding structured documentation into software packages. The optional LAMMPS Users and Developers Workshop and Symposium during the third week takes the LAMMPS Molecular Dynamics package as an example and provides specialized training for computational scientists that already are or want to become LAMMPS developers. The training will consist of lectures on the LAMMPS software overall design and implementation details as well as hand-on tutorial sessions by LAMMPS experts and developers. |
Workshop on Advanced Techniques for Scientific Programming and Management of Open Source Software Packages (10-21 March), followed by LAMMPS Users and Developers Workshop and Symposium (24-28 March) | (smr 2574)
Go to day
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-
08:45 - 20:45
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08:45
REGISTRATION
1h15'
(
Adriatico Guest House Kastler Lecture Hall
)
Registration of the participants outside the Kastler Lecture Hall, and administrative matters.
-
10:00
Workshop overview
30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Ivan Girotto - 10:30 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
11:00
Software Development Basics
45' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Axel Kohlmeyer Material: Lecture notes -
11:45
Python: Concepts and Design
45' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: David Grellscheid Material: Lecture notes - 12:30 Lunch break 1h30' ( Adriatico Guest House Kastler Lecture Hall )
-
14:00
Hands-on: Python Programming
2h0' (
Adriatico Guest House Informatics Lab.
)
Speaker: David Grellscheid - 16:00 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
16:30
Hands-on: Python Programming
2h30' (
Adriatico Guest House Informatics Lab.
)
Speaker: Axel Kohlmeyer Material: Hands on notes - 19:00 Dinner break 1h0' ( Adriatico Guest House Kastler Lecture Hall )
-
20:00
Informal Discussion Session
45' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45
REGISTRATION
1h15'
(
Adriatico Guest House Kastler Lecture Hall
)
-
08:45 - 20:45
-
-
08:45 - 21:00
-
08:45
Day 1 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
09:00
Concepts of Object Oriented Programming
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Richard Berger Material: Hands on notes - 10:30 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
11:00
Object Oriented Programming in Python
45' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: David Grellscheid Material: Lecture notes -
11:45
Data plotting, numpy scipy as examples for OO usage
45' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: David Grellscheid Material: Lecture notes - 12:30 Lunch break 1h30' ( Adriatico Guest House Kastler Lecture Hall )
-
14:00
Hands-on: OO Python Programming
2h0' (
Adriatico Guest House Informatics Lab.
)
Speaker: Oscar A. Najera Ocampo Material: Hands on notes - 16:00 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
16:30
Hands-on: Using Numpy/Scipy in Python
2h30' (
Adriatico Guest House Informatics Lab.
)
Speaker: David Grellscheid - 19:00 Dinner reception 2h0' ( Adriatico Guest House Kastler Lecture Hall )
-
08:45
Day 1 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45 - 21:00
-
-
08:45 - 20:45
-
08:45
Day 2 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
09:00
Linking with static and shared libraries using multiple programming languages
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Axel Kohlmeyer Material: Lecture notes - 10:30 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
11:00
Interfacing Python with C and Fortran
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Ajasja Ljubetic Material: Lecture notes - 12:30 Lunch break 1h30' ( Adriatico Guest House Kastler Lecture Hall )
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14:00
Hands-on: Multi-language programing
2h0' (
Adriatico Guest House Informatics Lab.
)
Speaker: Axel Kohlmeyer Material: Hands on notes - 16:00 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
16:30
Hands-on: Multi-language programing
2h30' (
Adriatico Guest House Informatics Lab.
)
Speaker: Ajasja Ljubetic Material: Hands on notes - 19:00 Dinner break 1h0' ( Adriatico Guest House Kastler Lecture Hall )
-
20:00
Informal Discussion Session
45' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45
Day 2 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45 - 20:45
-
-
08:45 - 20:45
-
08:45
Day 3 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
09:00
Software Optimization and Maintainability
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Richard Berger Material: Lecture notes - 10:30 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
11:00
Tools for Debugging and Profiling
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Ivan Girotto Material: Lecture notes - 12:30 Lunch break 1h30' ( Adriatico Guest House Kastler Lecture Hall )
-
14:00
Hands-on: Debugging and Profiling
2h0' (
Adriatico Guest House Informatics Lab.
)
Speaker: Richard Berger, Ivan Girotto Material: Hands on notes - 16:00 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
16:30
Hands-on: Exercises on code optimization
2h30' (
Adriatico Guest House Informatics Lab.
)
Speaker: Richard Berger, Ivan Girotto Material: Hands on notes - 19:00 Dinner break 1h0' ( Adriatico Guest House Kastler Lecture Hall )
-
20:00
Informal Discussion Session
45' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45
Day 3 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45 - 20:45
-
-
08:45 - 20:45
-
08:45
Day 4 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
09:00
Modern Computer Architectures
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Ivan Girotto Material: Lecture notes - 10:30 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
11:00
Hardware-specific Optimizations
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Axel Kohlmeyer Material: Lecture notes - 12:30 Lunch break 1h30' ( Adriatico Guest House Kastler Lecture Hall )
-
14:00
Hands-on: Memory Hierarchy and Optimization
2h0' (
Adriatico Guest House Informatics Lab.
)
Speaker: Ivan Girotto Material: Hands on notes - 16:00 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
16:30
Hands-on: Floating-point Math and Accuracy
2h30' (
Adriatico Guest House Informatics Lab.
)
Speaker: Axel Kohlmeyer Material: Hands on notes - 19:00 Dinner break 1h0' ( Adriatico Guest House Kastler Lecture Hall )
-
20:00
Informal Discussion Session
45' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45
Day 4 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45 - 20:45
-
-
08:45 - 12:30
-
08:45
Day 5 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
09:00
Introduction to OpenCL
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Ivan Girotto Material: Lecture notes - 10:30 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
11:00
Hands-on: OpenCL Programming on CPUs and GPUs
1h30' (
Adriatico Guest House Informatics Lab.
)
Speaker: Ivan Girotto, Axel Kohlmeyer Material: Hands on notes Lecture notes - 12:30 Lunch break, and free afternoon ( Adriatico Guest House Kastler Lecture Hall )
-
08:45
Day 5 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45 - 12:30
-
-
08:45 - 20:45
-
08:45
Week 1 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
09:00
Modern Source Code Management
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: David Grellscheid Material: Lecture notes - 10:30 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
11:00
Presentation of collaborative programming projects (working groups creation)
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
- 12:30 Lunch break 1h30' ( Adriatico Guest House Kastler Lecture Hall )
-
14:00
Hands-on: Introduction to Git (set up project repositories)
2h0' (
Adriatico Guest House Informatics Lab.
)
Speaker: Axel Kohlmeyer Material: Hands on notes - 16:00 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
16:30
Hands-on: Work on Projects
2h30' (
Adriatico Guest House Informatics Lab.
)
- 19:00 Dinner break 1h0' ( Adriatico Guest House Kastler Lecture Hall )
-
20:00
Informal Discussion Session
45' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45
Week 1 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45 - 20:45
-
-
08:45 - 20:45
-
08:45
Day 7 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
09:00
Agile software development
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Manuel M. Baehr Material: Lecture notes - 10:30 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
11:00
Getting Python code into production
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Manuel M. Baehr Material: Lecture notes - 12:30 Lunch break 1h30' ( Adriatico Guest House Kastler Lecture Hall )
-
14:00
Hands-on: Work on Projects
2h0' (
Adriatico Guest House Informatics Lab.
)
- 16:00 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
16:30
Hands-on: Work on Projects
2h30' (
Adriatico Guest House Informatics Lab.
)
- 19:00 Dinner break 1h0' ( Adriatico Guest House Kastler Lecture Hall )
-
20:00
Informal Discussion Session
45' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45
Day 7 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45 - 20:45
-
-
08:45 - 20:45
-
08:45
Day 8 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
09:00
Writing Helpful Documentation for Users and Developers
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: David Grellscheid Material: Lecture notes - 10:30 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
11:00
ICTP Climate Group talk. Hands-on with big data
1h30' (
Adriatico Guest House Informatics Lab.
)
Speaker: Graziano Giuliani Material: Lecture notes - 12:30 Lunch break 1h30' ( Adriatico Guest House Kastler Lecture Hall )
-
14:00
Hands-on: Work on Projects
2h0' (
Adriatico Guest House Informatics Lab.
)
- 16:00 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
16:30
Hands-on: Work on Projects
2h30' (
Adriatico Guest House Informatics Lab.
)
- 19:00 Dinner break 1h0' ( Adriatico Guest House Kastler Lecture Hall )
-
20:00
Informal Discussion Session
45' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45
Day 8 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45 - 20:45
-
-
08:45 - 20:45
-
08:45
Days 9 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
09:00
Reusing Software / Panel Discussion on Licensing
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Axel Kohlmeyer, David Grellscheid, Ivan Girotto - 10:30 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
11:00
Real-world uses of scientific programming
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: David Grellscheid, Graziano Giuliani, Richard Berger Material: Lecture notes - 12:30 Lunch break 1h30' ( Adriatico Guest House Kastler Lecture Hall )
-
14:00
Hands-on: Work on Projects
2h0' (
Adriatico Guest House Informatics Lab.
)
- 16:00 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
16:30
Hands-on: Work on Projects
2h30' (
Adriatico Guest House Informatics Lab.
)
- 19:00 Dinner break 1h0' ( Adriatico Guest House Kastler Lecture Hall )
-
20:00
Informal Discussion Session
45' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45
Days 9 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45 - 20:45
-
-
08:45 - 12:45
-
08:45
Day 10 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
09:00
Project Presentations
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
- 10:30 Coffee break 30' ( Adriatico Guest House Kastler Lecture Hall )
-
11:00
Programming Project Presentations. Handing out of Certificates.
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Material: Participants presentations -
12:30
Closing remarks
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45
Day 10 Recap
15' (
Adriatico Guest House Kastler Lecture Hall
)
-
08:45 - 12:45
-
-
08:30 - 20:00
-
08:30
REGISTRATION OF PARTICIPANTS ATTENDING THE LAMMPS WEEK (WORKSHOP AND SYMPOSIUM)
30'
(
Adriatico Guest House - Kastler Lecture Hall Area (Lower Level 1)
)
Participants already present during the previous part of the overall event do not need to register again.
-
09:00
LAMMPS Features and Capabilities
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Activity will continue in parallel sessions for the group of programmers (venue: Lundqvist Lecture Hall), and of users (venue: Kastler Lecture Hall, and Infolabs for hands-on)
Speaker: Steve Plimpton Material: Slides - 10:30 Coffee break, and completion of registration formalities 30' ( Adriatico Guest House (Lower Level 1) )
-
11:00
USERS' SESSION: Introduction to LAMMPS' input file syntax
45' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Christian Trott -
11:00
PROGRAMMERS' SESSION: Present and discuss projects
1h30' (
Adriatico Guest House Lundqvist Lecture Hall
)
Speaker: Steve Plimpton, Axel Kohlmeyer -
11:45
USERS' SESSION: Visualization and topology creation with VMD
45' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Christopher MacDermaid Material: Slides - 12:30 Lunch break 1h30' ( Adriatico Guest House (Lower Level 1) )
-
14:00
PROGRAMMERS' SESSION: Work on projects
2h0' (
Adriatico Guest House Lundqvist Lecture Hall
)
-
14:00
USERS' SESSION: Hands-on: Simple input examples
2h0' (
Adriatico Guest House Informatics Lab.
)
Speaker: Eduard Schreiner - 16:00 Coffee break 30' ( Adriatico Guest House (Lower Level 1) )
-
16:30
USERS' SESSION: Hands-on: Building topologies and more complex inputs
2h30' (
Adriatico Guest House Informatics Lab.
)
Speaker: Christian Trott -
16:30
PROGRAMMERS' SESSION: Work on projects
2h30' (
Adriatico Guest House Lundqvist Lecture Hall
)
- 19:00 Dinner break 1h0' ( Adriatico Guest House (Lower Level 1) )
-
08:30
REGISTRATION OF PARTICIPANTS ATTENDING THE LAMMPS WEEK (WORKSHOP AND SYMPOSIUM)
30'
(
Adriatico Guest House - Kastler Lecture Hall Area (Lower Level 1)
)
-
08:30 - 20:00
-
-
09:00 - 20:00
-
09:00
Modifying LAMMPS and LAMMPS Program Structure
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Activity will continue in parallel sessions for the group of programmers (venue: Lundqvist Lecture Hall), and of users (venue: Kastler Lecture Hall, and Infolabs for hands-on)
Speaker: Steve Plimpton Material: Slides - 10:30 Coffee break 30' ( Adriatico Guest House (Lower Level 1) )
-
11:00
USERS' SESSION: Equilibrium MD data analysis
45' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Mario Orsi Material: Lecture notes -
11:00
PROGRAMMERS' SESSION: Project updates
1h30' (
Adriatico Guest House Lundqvist Lecture Hall
)
Speaker: Steve Plimpton, Axel Kohlmeyer -
11:45
USERS' SESSION: Non-equilibrium MD data analysis
45' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Steve Plimpton Material: Slides - 12:30 Lunch break 1h30' ( Adriatico Guest House (Lower Level 1) )
-
14:00
USERS' SESSION: Hands-on: Data Analysis and advanced scripting
2h0' (
Adriatico Guest House Informatics Lab.
)
Speaker: Mario Orsi -
14:00
PROGRAMMERS' SESSION: Work on projects
2h0' (
Adriatico Guest House Lundqvist Lecture Hall
)
- 16:00 Coffee break 30' ( Adriatico Guest House (Lower Level 1) )
-
16:30
USERS' SESSION: Hands-on: NEMD
2h30' (
Adriatico Guest House Informatics Lab.
)
Speaker: Steve Plimpton -
16:30
PROGRAMMERS' SESSION: Work on projects
2h30' (
Adriatico Guest House Lundqvist Lecture Hall
)
- 19:00 Dinner break 1h0' ( Adriatico Guest House (Lower Level 1) )
-
09:00
Modifying LAMMPS and LAMMPS Program Structure
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
-
09:00 - 20:00
-
-
09:00 - 20:00
-
09:00
Accelerated LAMMPS: Part 1: USER-CUDA & KOKKOS; Part 2: USER-OMP and GPU
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
Activity will continue in parallel sessions for the group of programmers (venue: Lundqvist Lecture Hall), and of users (venue: Kastler Lecture Hall, and Infolabs for hands-on)
Speaker: Christian Trott, Axel Kohlmeyer Material: Slides - 10:30 Coffee break 30' ( Adriatico Guest House (Lower Level 1) )
-
11:00
USERS' SESSION: Compiling LAMMPS from source
45' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Christopher MacDermaid -
11:00
PROGRAMMERS' SESSION: Projects updates
1h30' (
Adriatico Guest House Lundqvist Lecture Hall
)
Speaker: Steve Plimpton, Axel Kohlmeyer -
11:45
USERS' SESSION: Adding new styles to LAMMPS
45' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Christian Trott - 12:30 Lunch break 1h30' ( Adriatico Guest House (Lower Level 1) )
-
14:00
USERS' SESSION: Hands-on: Compiling, running, benchmarking LAMMPS with MPI, CUDA/OpenCL, OpenMP
2h0' (
Adriatico Guest House Informatics Lab.
)
Speaker: Christopher MacDermaid, Eduard Schreiner -
14:00
PROGRAMMERS' SESSION: Work on projects
2h0' (
Adriatico Guest House Lundqvist Lecture Hall
)
- 16:00 Coffee break 30' ( Adriatico Guest House (Lower Level 1) )
-
16:30
USERS' SESSION: Hands-on: writing your own styles
2h30' (
Adriatico Guest House Informatics Lab.
)
Speaker: Christian Trott, Mario Orsi -
16:30
PROGRAMMERS' SESSION: Work on projects
2h30' (
Adriatico Guest House Lundqvist Lecture Hall
)
- 19:00 Dinner break 1h0' ( Adriatico Guest House (Lower Level 1) )
-
09:00
Accelerated LAMMPS: Part 1: USER-CUDA & KOKKOS; Part 2: USER-OMP and GPU
1h30' (
Adriatico Guest House Kastler Lecture Hall
)
-
09:00 - 20:00
-
-
08:45 - 20:00
-
08:45
REGISTRATION OF PARTICIPANTS ATTENDING THE TWO-DAY SYMPOSIUM ONLY
15'
(
Adriatico Guest House - Kastler Lecture Hall Area (Lower Level 1)
)
Participants already present during the previous part of the overall event do not need to register again.
-
09:15
Welcome to the LAMMPS Symposium
5' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Axel Kohlmeyer (Temple University & ICTP) -
09:20
LAMMPS: Status, Recent Features, and Future Plans
1h10' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Steve Plimpton (SNL) - 10:30 Coffee break 15' ( Adriatico Guest House Kastler Lecture Hall )
-
10:45
Effective Core Pseudo Potentials for the Electron Force Field (eFF)
35' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Andres Jaramillo-Botero (Caltech) -
11:20
Study of fast reactions in PETN with LAMMPS ReaxFF implementation
20' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Oleg Sergeev (VNIIA, Moscow) -
11:40
Modeling of Blood Flow in LAMMPS
20' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Kirill Lykov (University of Lugano) -
12:00
Interface between LAMMPS and J-OCTA/OCTA
20' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Taku Ozawa (JSOL Corporation) - 12:20 Lunch break 1h30' ( Adriatico Guest House Kastler Lecture Hall )
-
14:00
Hands-on Demo and Tutorial of MAPS
3h0' (
Adriatico Guest House Informatics Lab.
)
Speaker: Joe Tucker (Scienomics) -
17:00
Poster session
1h0' (
Adriatico Guest House - Kastler Lecture Hall Area (Lower Level 1)
)
-
18:00
Informal discussion - Adjourn
1h0' (
Adriatico Guest House Kastler Lecture Hall
)
- 19:00 Dinner break 1h0' ( Adriatico Guest House Kastler Lecture Hall )
-
08:45
REGISTRATION OF PARTICIPANTS ATTENDING THE TWO-DAY SYMPOSIUM ONLY
15'
(
Adriatico Guest House - Kastler Lecture Hall Area (Lower Level 1)
)
-
08:45 - 20:00
-
-
09:00 - 12:35
-
09:00
Introductory remarks
5' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Axel Kohlmeyer -
09:05
GARFfield: A Hybrid Evolutionary and Gradient-based Multi-objective Optimization Scheme for Force Field Development Coupled to LAMMPS
35' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Andres Jaramillo-Botero (Caltech) -
09:40
Coarse-grained water and fine-grained solutes: mixing resolutions with a “parameter-free” approach
35' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Mario Orsi (Queen Mary University of London) -
10:15
Atomistic simulation of polishing and grinding with multiple abrasive particles
20' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Stefan Eder (AC2T Research Gmbh) - 10:35 Coffee break 15' ( Adriatico Guest House Kastler Lecture Hall )
-
10:50
Interface Thermal Resistance and Thermal Rectification in Carbon Based Nanostructures
35' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Mehdi Vaez Allaei (University of Tehran) -
11:25
Is there any thermal resistance at multilayer-monolayer graphene planar junction?
20' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Ali Rajabpour (Imam Khomeini International University) -
11:45
Panel Discussion with LAMMPS Developers
45' (
Adriatico Guest House Kastler Lecture Hall
)
Speaker: Steve Plimpton, Axel Kohlmeyer, Christian Trott, Mario Orsi -
12:30
Closing remarks - Symposium end
5' (
Adriatico Guest House Kastler Lecture Hall
)
-
09:00
Introductory remarks
5' (
Adriatico Guest House Kastler Lecture Hall
)
-
09:00 - 12:35