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E-CAM Survey of Application Software
European Centre of Excellence
Supporting HPC simulations in industry and academia through software development, training and discussion in simulation and modeling
E-CAM's stories
Interviews, opinion pieces, success stories, case studies.
E-CAM Case Study: Mesoscale models for polarisable solvents: application to oil-water interfaces
Dr. Silvia Chiacchiera, …The Curse of Dimensionality in Data-Intensive Modeling in Medicine, Biology, and Diagnostics
With Prof. Tim Conrad …E-CAM Case Study: Designing control pulses for superconducting qubit systems with local control theory
Dr. Momir Mališ, École …E-CAM Case Study: The implementation of a hierarchical equilibration strategy for polymer melts, to help studying the rheological properties of new composite materials
Dr. Hideki Kobayashi, Max-Planck-Institut …
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- @ECAM2020 CoE will be well represented at this 1st @FocusCoE workshop, aimed at addressing specific #CoEs support… https://t.co/LMNDD0XUQt10 hours ago
- Two papers introducing OpenPathSampling @pathsampling, a software package to study rare events, recently published… https://t.co/iWIhRufpuf2 days ago
- RT @BioExcelCoE: #GROMACS 2019.1 is now available! We encourage all users of the 2019 series to update to this version. More information on…2 days ago
- RT @HartreeCentre: Apply for a summer placement at the Hartree Centre through the @PRACE_RI Summer of HPC 2019! Eligibility criteria, proj…2 days ago
- RT @jchodera: Come work with us! We have six locations now, including San Diego, NYC, and Belgium! #compchem #chemjobs https://t.co/n8OYKBn…2 days ago
- RT @max_center2: Insights from Optimized #codes on @Cineca1969 Marconi: @carlocavazzoni & @AndreaFerretti show how #supercomputing resource…2 days ago
Modules of the month
What is a module?
February
CTMQC, a module for excited-state nonadiabatic dynamics
CTMQC is a module for excited-state nonadiabatic dynamics. It is used to simulate the coupled dynamics of electrons and …
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Upcoming E-CAM events
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ESDW: Topics in Classical MD
3 Apr - 12 Apr -
Inverse Molecular Design & Inference: building a Molecular Foundry
29 May - 5 Jun -
Electrochemical energy storage: Theory meets industry
12 Jun - 14 Jun -
Recent developments in quantum dynamics, an E-CAM state-of-the-art workshop
17 Jun - 21 Jun
Recent Posts
Two papers introducing OpenPathSampling, a software package to study rare events
Two papers introducing to OpenPathSampling (OPS) were recently published : …
CTMQC, a module for excited-state nonadiabatic dynamics
CTMQC is a module for excited-state nonadiabatic dynamics. It …
9 software modules recently delivered in the area of Meso and Multi-scale Modelling
In this report for Deliverable 4.4 [1] of E-CAM, nine …
Issue 9 – October 2018
E-CAM Newsletter of October 2018 Get the latest …
