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Displaying 30 authors out of 30
Interfacing Python with C and Fortran
Hands-on: Multi-language programing
ALI RAJABPOUR (Imam Khomeini International University)
Is there any thermal resistance at multilayer-monolayer graphene planar junction?
Effective Core Pseudo Potentials for the Electron Force Field (eFF)
GARFfield: A Hybrid Evolutionary and Gradient-based Multi-objective Optimization Scheme for Force Field Development Coupled to LAMMPS
Software Development Basics
Hands-on: Python Programming
Linking with static and shared libraries using multiple programming languages
Hands-on: Multi-language programing
Hardware-specific Optimizations
Hands-on: Floating-point Math and Accuracy
Hands-on: Introduction to Git (set up project repositories)
Welcome to the LAMMPS Symposium
Introductory remarks
Reusing Software / Panel Discussion on Licensing
USERS' SESSION: Introduction to LAMMPS' input file syntax
USERS' SESSION: Hands-on: Building topologies and more complex inputs
USERS' SESSION: Adding new styles to LAMMPS
Accelerated LAMMPS: Part 1: USER-CUDA & KOKKOS; Part 2: USER-OMP and GPU
USERS' SESSION: Hands-on: writing your own styles
USERS' SESSION: Visualization and topology creation with VMD
USERS' SESSION: Compiling LAMMPS from source
USERS' SESSION: Hands-on: Compiling, running, benchmarking LAMMPS with MPI, CUDA/OpenCL, OpenMP
Python: Concepts and Design
Hands-on: Python Programming
Object Oriented Programming in Python
Data plotting, numpy scipy as examples for OO usage
Hands-on: Using Numpy/Scipy in Python
Modern Source Code Management
Writing Helpful Documentation for Users and Developers
Real-world uses of scientific programming
USERS' SESSION: Hands-on: Simple input examples
ICTP Climate Group talk. Hands-on with big data
Workshop overview
Tools for Debugging and Profiling
Modern Computer Architectures
Hands-on: Memory Hierarchy and Optimization
Introduction to OpenCL
Hands-on: OpenCL Programming on CPUs and GPUs
JOE TUCKER (Scienomics)
Hands-on Demo and Tutorial of MAPS
KIRILL LYKOV (University of Lugano)
Modeling of Blood Flow in LAMMPS
Agile software development
Getting Python code into production
USERS' SESSION: Equilibrium MD data analysis
USERS' SESSION: Hands-on: Data Analysis and advanced scripting
Coarse-grained water and fine-grained solutes: mixing resolutions with a “parameter-free” approach
MEHDI VAEZ ALLAEI (University of Tehran)
Interface Thermal Resistance and Thermal Rectification in Carbon Based Nanostructures
OLEG SERGEEV (VNIIA, Moscow)
Study of fast reactions in PETN with LAMMPS ReaxFF implementation
Hands-on: OO Python Programming
Concepts of Object Oriented Programming
Software Optimization and Maintainability
Hands-on: Debugging and Profiling
Hands-on: Exercises on code optimization
STEFAN EDER (AC2T Research Gmbh)
Atomistic simulation of polishing and grinding with multiple abrasive particles
LAMMPS Features and Capabilities
Modifying LAMMPS and LAMMPS Program Structure
USERS' SESSION: Non-equilibrium MD data analysis
USERS' SESSION: Hands-on: NEMD
LAMMPS: Status, Recent Features, and Future Plans
PROGRAMMERS' SESSION: Present and discuss projects
PROGRAMMERS' SESSION: Project updates
PROGRAMMERS' SESSION: Projects updates
Panel Discussion with LAMMPS Developers
TAKU OZAWA (JSOL Corporation)
Interface between LAMMPS and J-OCTA/OCTA

Organizers

I. Girotto (ICTP), D. Grellscheid (University of Durham), A. Kohlmeyer (ICTP), C. Onime (ICTP), S. Plimpton (Sandia National Laborary), U. Singe (ICTP)