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E-CAM Case Study: The development of the CG-AdResS scheme:
from smooth coupling to …A Conversation on The Fourth Industrial Revolution: Opportunities & Trends for Particle Based Simulation
Abstract In the …Mesoscale simulation of billion atom complex systems using thousands of GPGPU’s, an industry success story
Dr. Jony Castagna, Science …Software vendor SMEs as a boost for technology transfer in industrial simulative pipelines
The E-CAM Scoping Workshop …
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- #PhD position open in the University of Warwick in collaboration with #IBM research Daresbury, in the area of GPU a… https://t.co/wpgSJizzeA2 days ago
- RT @PRACE_RI: Last chance to submit your contributions and posters for #PRACEdays20 during the #EHPCSW. The deadline is on Wednesday, De…2 days ago
- How DNA bases "roll over": Using path sampling to study the mechanism and kinetics of transient Hoogsteen base pair… https://t.co/HT7D0KXEOd5 days ago
- RT @nccr_marvel: New method from @COSMO_EPFL outperforms current state-of-the-art machine-learning schemes and provides a conceptual framew…12 days ago
- RT @EuroHpc: Each #EuroHPC pre-exascale #supercomputer will have a performance of at least 150 Petaflop/s measured in LINPACK. Call for ten…12 days ago
- RT @PRACE_RI: Want to present your advancements in research and innovation during #PRACEdays20? Call for contributions and posters is ope…12 days ago
Modules of the month
What is a module?
December
PANNA: Properties from Artificial Neural Network Architectures
PANNA is a package for training and validating neural networks to represent atomic potentials. It implements configurable all-to-all connected deep …
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Upcoming E-CAM events
Nov 1 – Nov 9 all-day
12:00 am
Organizers Donal MacKernan University College Dublin, Ireland Vladimir Lobaskin University College Dublin, Ireland Description The overarching theme of this proposed E-CAM Transverse Extended Software Development Workshop is the design and control of molecular machines including[...]
Dec 9 – Dec 12 all-day
12:00 am
Organizers Burkhard Duenweg Max Planck Institute for Polymer Research, Mainz, Germany Ignacio Pagonabarraga Swiss Federal Institute of Technology, Switzerland Ravi Prakash Jagadeeshan Monash University, Melbourne, Australia Description The general topic of the event is computational[...]
Recent Posts
Issue 12 – December 2019
E-CAM Newsletter of December 2019 Get the latest news from …PANNA: Properties from Artificial Neural Network Architectures
PANNA is a package for training and validating neural networks …
New publication is out: “Atomistic insight into the kinetic pathways for Watson–Crick to Hoogsteen transitions in DNA”
Title: Atomistic insight into the kinetic pathways for Watson-Crick to …
Pyscal- A python module for structural analysis of atomic environments
Description pyscal is a python module for the calculation of local …
