From owner-chemistry@ccl.net Wed Mar 13 11:54:00 2019
From: "Monica Campillos mcampillos++bigchem.eu" <owner-chemistry . server.ccl.net>
To: CCL
Subject: CCL: ICANN 2019 Submission Deadline Extended
Message-Id: <-53643-190313071908-29155-GxT205yc1kTRT4kR0oyaxA . server.ccl.net>
X-Original-From: "Monica  Campillos" <mcampillos]![bigchem.eu>
Date: Wed, 13 Mar 2019 07:19:05 -0400


Sent to CCL by: "Monica  Campillos" [mcampillos%x%bigchem.eu]
-------------------------------------------------------------------------------- 
28th International Conference on Artificial Neural Networks 
http://icann2019.org 

Munich, Germany 
17 - 19 September 2019 
Special event: BIGCHEM (http://bigchem.eu) final meeting 
============================================================ 

The International Conference on Artificial Neural Networks (ICANN) is the annual flagship conference of the European Neural Network Society (ENNS). 
In 2019 the Helmholtz Zentrum Muenchen - German Research Center for Environmental Health GmbH (HMGU) and the Technical University of Munich (TUM) together with the "Big Data in Chemistry" Marie Skodowska-Curie Innovative Training Network European Industrial Doctorate project (BIGCHEM) organize the 28th ICANN Conference from the 17th to the 19th of September 2019 in Munich, Germany. 

CONFERENCE TOPICS 
ICANN 2019 is a dual-track conference featuring tracks in Brain Inspired Computing and Machine Learning and Artificial Neural Networks, with strong cross-disciplinary interactions and applications. All research fields dealing with Neural Networks will be present at the conference. A non-exhaustive list of topics includes: 

Machine Learning: Deep Learning, Neural Network Theory, Neural Network Models, Graphical Models, Bayesian Networks, Kernel Methods, Generative Models, Information Theoretic Learning, Reinforcement Learning, Relational Learning, Dynamical Models Recurrent Networks. 

Brain Inspired Computing: Cognitive models, Computational Neuroscience, Self-organisation, Reinforcement Learning, Neural Control and Planning, Hybrid Neural-Symbolic Architectures, Neural Dynamics. 

Neural Applications for: Bioinformatics, Biomedicine, Intelligent Robotics, Neurorobotics, Language Processing, Image Processing, Sensor Fusion, Pattern Recognition, Data Mining, Neural Agents, Brain-Computer Interaction, Neural Hardware, Evolutionary Neural Networks. 

Special session (BIGCHEM): Big Data analysis in chemistry, chemoinformatics, use of deep learning to predict molecular properties, drug-discovery, modelling and prediction of chemical reaction data, synthetic route prediction, structure generation, molecular dynamics simulations and quantum chemistry. 

Special sessions: Artificial Intelligence in Medicine, Informed and Explainable Methods for Machine Learning, Deep Learning in Image Reconstruction, Machine Learning with Graphs: Algorithms and Applications. 

Workshops: 1st International Workshop on Reservoir Computing (RC 2019) 

CALL FOR CONTRIBUTED SCIENTIFIC COMMUNICATIONS 
All scientific communications presented at ICANN 2019 will be reviewed and scientifically evaluated by a panel of experts. The conference will feature three categories of communications: 
- oral communications (15'+5') 
- poster communications 
- demonstrations 

Call for Papers: 
Authors willing to present original contributions in either oral or poster category may submit: 
- a proceedings paper manuscript of about 10 - 12 pages to be published in Springer-Verlag Lecture Notes in Computer Science (LNCS) series with individual DOI 
- extended abstracts of a maximum length of 4 pages to be published in Springer-Verlag Lecture Notes in Computer Science (LNCS) series. 
The number of oral slots is limited. In case the number of requested oral presentations is larger than the available slots the ICANN scientific committee will select which papers will be reassigned to a poster session. This selections will be based on the coherence of the programme and is totally independent of the category of submission. 
Submission of communications will be online. More details will be made available soon on the conference website: http://icann2019.org 

IMPORTANT DATES 

Deadline of proceedings paper submission: Extended to 1 April 2019 
Deadline of extended abstracts submission: 1 April 2019 
Notification of acceptance: 1 May 2019 
Camera-ready paper and registration opening: 1 June 2019 
Deadline early registration at discount rate: 15 June 2019 
Conference dates: 17-19 September 2019 

REGISTRATION FEES (EARLY RATES) 

Full registration: 400 EUR 
Student registration: 250 EUR 
Reductions for ENNS members 

BEST PAPER AWARDS 
ENNS will sponsor a maximum of four best paper awards, two in the Brain Inspired Computing track (one poster and one oral communication) and, analogously, two in the Machine Learning Research track. All awardees will be presented during the final ceremony. 


TRAVEL GRANTS 
The European Neural Network Society sponsors a number of Student Travel Grants covering part of the costs for attending ICANN. Details on the conference website. 


ORGANISATION 
General Chair: 
Igor Tetko (ENNS/HMGU Munich, Germany) and Fabian Theis (HMGU/TUM Munich, Germany) 

Organising Committee Chairs: 
Monica Campillos (HMGU Munich, Germany), Alessandra Lintas (ENNS Lausanne, Switzerland) 

Honorary Chair: 
Vera Kurkova, Czech Academy of Sciences (ENNS President) 

Communication Chair: 
Paolo Masulli (ENNS Lausanne, Switzerland) 
--------------------------------------------------------------------------------


From owner-chemistry@ccl.net Wed Mar 13 12:29:00 2019
From: "Jean-Pierre DJUKIC djukic~!~unistra.fr" <owner-chemistry{=}server.ccl.net>
To: CCL
Subject: CCL: 1st International Conference on Noncovalent Interactions, Lisbon, Portugal, 2-6 September
Message-Id: <-53644-190313095131-9215-cK7IEr+3fmI1Yqg7iW2Fag{=}server.ccl.net>
X-Original-From: Jean-Pierre DJUKIC <djukic_+_unistra.fr>
Content-Language: fr
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Date: Wed, 13 Mar 2019 14:51:24 +0100
MIME-Version: 1.0


Sent to CCL by: Jean-Pierre DJUKIC [djukic(-)unistra.fr]
This is a multi-part message in MIME format.
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Dear listers,
I forward you the latest announcement for the 1rst international 
conference on Noncovalent Interactions to be held in Lisbon in September 
this year.
For further details, please see below.
Cheers,
JP

*
*

*Dear Colleague,*

We are very pleased to announce that 1st International Conference on 
Noncovalent Interactions
which will be held in Lisbon, Portugal, 2-6 September 2019. Please save 
the date and find details at

http://icni2019.eventos.chemistry.pt/#page-top

The conference aims to highlight the role of Noncovalent Interactions in 
Synthesis, Catalysis,
Crystal engineering, Molecular recognition, Medicinal chemistry, 
Biology, Materials science,
Electrochemical immobilization, etc. including also Theoretical aspects.
All approaches will be considered, from fundamental to applied ones,
including discussion of new types of noncovalent interactions
(aerogen, halogen, chalcogen, pnictogen, tetrel and icosagen bonds)
and multidisciplinary studies.

We welcome your participation and look forward to receiving your 
registration and abstract.

Important Dates

Early bird Registration: October 1, 2018 - March 31, 2019
Normal Registration: April 1 - June 30, 2019
Later Registration: from July 01, 2019
Abstract Submission: October 1, 2018 - May 30, 2019
Abstract Acceptance Notification: until June 15, 2019

With best regards,

Conference Chairs
Armando J.L. Pombeiro, University of Lisbon, Portugal
Kamran T. Mahmudov, University of Lisbon, Portugal

-- 

-- 
_____________________________________________
Dr Jean-Pierre DJUKIC (Đukić)(DR CNRS)
Laboratoire de Chimie et Systémique OrganoMétalliques (LCSOM)

http://institut-chimie.unistra.fr/en/equipes-de-recherche/lcsom-chimie-et-systemique-organo-metalliques/
http://lcsom.u-strasbg.fr
https://fr.linkedin.com/in/jpdjukic

Adresse postale:
LCSOM, Institut de Chimie de Strasbourg
UMR 7177 CNRS / Université de Strasbourg
4, rue Blaise Pascal
67000 Strasbourg Cedex.
me joindre: Institut Le bel, aile nord, 9ème étage, pièce 942b, tel: +33 (0)368851523
____________________________________________________________

Conseiller Recherche à la CR de l'Université de Strasbourg / membre du Conseil Académique de l'Université de Strasbourg
____________________________________________________________
http://eu.wiley.com/WileyCDA/WileyTitle/productCd-1119109892.html

Non-covalent Interactions in the Synthesis and Design of New Compounds
Wiley VCH, May 2016
____________________________________________________________

New in 2019 !
https://pubs.rsc.org/en/content/ebook/978-1-78801-468-7
Noncovalent interactions in Catalysis, RSC Publishing, March 2019.

==>> https://pubs.rsc.org/en/content/chapter/bk9781788014687-00579/978-1-78801-468-7

+++++++++++++++++++++++++ICNI 2019++++++++++++++++++++++++++
Attend the 1st International Conference on Noncovalent Interactions !

1-6 September 2019, Lisbon, Portugal.
http://icni2019.eventos.chemistry.pt/
+++++++++++++++++++++++++++++++++++++++++++++++++++

---Ce courriel et son contenu sont protégés par les dispositions de l'article 432-9 du Code pénal---


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<html>
  <head>
    <meta http-equiv="Content-Type" content="text/html; charset=utf-8">
  </head>
  <body text="#000000" bgcolor="#FFFFFF">
    Dear listers,<br>
    I forward you the latest announcement for the 1rst international
    conference on Noncovalent Interactions to be held in Lisbon in
    September this year.<br>
    For further details, please see below.<br>
    Cheers,<br>
    JP<br>
    <p><strong><span style="white-space: nowrap;"
          data-mce-style="white-space: nowrap;"><br>
        </span></strong></p>
    <p><strong><span style="white-space: nowrap;"
          data-mce-style="white-space: nowrap;">Dear Colleague,</span></strong><br>
      <br>
      We are very pleased to announce that 1st International Conference
      on Noncovalent Interactions<br>
      which will be held in Lisbon, Portugal, 2-6 September 2019. Please
      save the date and find details at<br>
      <br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;"><a
          href="http://icni2019.eventos.chemistry.pt/#page-top"
          rel="noreferrer" target="_blank"
          data-mce-href="http://icni2019.eventos.chemistry.pt/#page-top">http://icni2019.eventos.chemistry.pt/#page-top</a></span><br>
      <br>
      The conference aims to highlight the role of Noncovalent
      Interactions in Synthesis, Catalysis,<br>
      Crystal engineering, Molecular recognition, Medicinal chemistry,
      Biology, Materials science,<br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">Electrochemical immobilization, etc. including also Theoretical aspects.</span><br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">All approaches will be considered, from fundamental to applied ones,</span><br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">including discussion of new types of noncovalent interactions</span><br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">(aerogen, halogen, chalcogen, pnictogen, tetrel and icosagen bonds)</span><br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">and multidisciplinary studies.</span><br>
      <br>
      We welcome your participation and look forward to receiving your
      registration and abstract.<br>
      <br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">Important Dates</span><br>
      <br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">Early bird Registration: October 1, 2018 - March 31, 2019</span><br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">Normal Registration: April 1 - June 30, 2019</span><br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">Later Registration: from July 01, 2019</span><br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">Abstract Submission: October 1, 2018 - May 30, 2019</span><br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">Abstract Acceptance Notification: until June 15, 2019</span><br>
      <br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">With best regards,</span><br>
      <br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">Conference Chairs</span><br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">Armando J.L. Pombeiro, University of Lisbon, Portugal</span><br>
      <span style="white-space: nowrap;" data-mce-style="white-space:
        nowrap;">Kamran T. Mahmudov, University of Lisbon, Portugal</span><br>
    </p>
    <pre class="moz-signature" cols="72">-- </pre>
    <pre class="moz-signature" cols="72">-- 
_____________________________________________
Dr Jean-Pierre DJUKIC (Đukić)(DR CNRS)
Laboratoire de Chimie et Systémique OrganoMétalliques (LCSOM)

<a class="moz-txt-link-freetext" href="http://institut-chimie.unistra.fr/en/equipes-de-recherche/lcsom-chimie-et-systemique-organo-metalliques/">http://institut-chimie.unistra.fr/en/equipes-de-recherche/lcsom-chimie-et-systemique-organo-metalliques/</a>
<a class="moz-txt-link-freetext" href="http://lcsom.u-strasbg.fr">http://lcsom.u-strasbg.fr</a>
<a class="moz-txt-link-freetext" href="https://fr.linkedin.com/in/jpdjukic">https://fr.linkedin.com/in/jpdjukic</a>

Adresse postale: 
LCSOM, Institut de Chimie de Strasbourg
UMR 7177 CNRS / Université de Strasbourg
4, rue Blaise Pascal
67000 Strasbourg Cedex.
me joindre: Institut Le bel, aile nord, 9ème étage, pièce 942b, tel: +33 (0)368851523
____________________________________________________________

Conseiller Recherche à la CR de l'Université de Strasbourg / membre du Conseil Académique de l'Université de Strasbourg
____________________________________________________________
<a class="moz-txt-link-freetext" href="http://eu.wiley.com/WileyCDA/WileyTitle/productCd-1119109892.html">http://eu.wiley.com/WileyCDA/WileyTitle/productCd-1119109892.html</a>

Non-covalent Interactions in the Synthesis and Design of New Compounds
Wiley VCH, May 2016
____________________________________________________________

New in 2019 !
<a class="moz-txt-link-freetext" href="https://pubs.rsc.org/en/content/ebook/978-1-78801-468-7">https://pubs.rsc.org/en/content/ebook/978-1-78801-468-7</a>
Noncovalent interactions in Catalysis, RSC Publishing, March 2019.

==&gt;&gt; <a class="moz-txt-link-freetext" href="https://pubs.rsc.org/en/content/chapter/bk9781788014687-00579/978-1-78801-468-7">https://pubs.rsc.org/en/content/chapter/bk9781788014687-00579/978-1-78801-468-7</a>

+++++++++++++++++++++++++ICNI 2019++++++++++++++++++++++++++
Attend the 1st International Conference on Noncovalent Interactions !

1-6 September 2019, Lisbon, Portugal.
<a class="moz-txt-link-freetext" href="http://icni2019.eventos.chemistry.pt/">http://icni2019.eventos.chemistry.pt/</a> 
+++++++++++++++++++++++++++++++++++++++++++++++++++

---Ce courriel et son contenu sont protégés par les dispositions de l'article 432-9 du Code pénal---</pre>
  </body>
</html>

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From owner-chemistry@ccl.net Wed Mar 13 18:18:01 2019
From: "Julian Umeh cumeh91,,yahoo.com" <owner-chemistry:server.ccl.net>
To: CCL
Subject: CCL: Diffusion constants of gas in a MOF using LAMMPS
Message-Id: <-53645-190313174004-6999-iteWKhnQ3qjk9Zx+xUtycw:server.ccl.net>
X-Original-From: "Julian  Umeh" <cumeh91_-_yahoo.com>
Date: Wed, 13 Mar 2019 17:40:02 -0400


Sent to CCL by: "Julian  Umeh" [cumeh91^yahoo.com]
I am currently trying to do a simulation of the calculation of diffusion 
coefficients of gas in a MOF using LAMMPS. I would appreciate it if anyone 
who has done something similar send me an input file that I could use as a 
template for the simulation.