coudert.name
François-Xavier Coudert | Researcher at CNRS & Chimie ParisTechFrançois-Xavier Coudert, researcher at CNRS & Chimie ParisTech, molecular simulation of nanoporous materials
http://www.coudert.name/
François-Xavier Coudert, researcher at CNRS & Chimie ParisTech, molecular simulation of nanoporous materials
http://www.coudert.name/
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François-Xavier Coudert | Researcher at CNRS & Chimie ParisTech | coudert.name Reviews
https://coudert.name
François-Xavier Coudert, researcher at CNRS & Chimie ParisTech, molecular simulation of nanoporous materials
FX's blog: musings on chemistry, among other things…
FX's blog: musings on chemistry, among other things. Friday 6 March 2015. Tired of issues , concerns and worrying signs in published papers. On Friday 6 March 2015, 11:59 - peer review. Recent examples that annoy me significantly:. TEM images with worrying signs of manipulation. And that's using very cautious language for something that looks clear-cut) in 4 papers by the same authors including 3 papers in a journal where the author is also an editor. Full story over there. And from this 2015 paper.
coudert.name
François-Xavier Coudert | Software development
http://coudert.name/software.html
ELATE: Elastic tensor analysis. My online open-source tool for analysis of elastic tensors, calculating elastic properties of materials. For scientific writing, LaTeX, and computational chemistry are available on GitHub. I provide GNU Fortran packages for Mac OS (for more details, see these explanations. Gfortran 6.3 for Sierra. Gfortran 6.1 for El Capitan. OS X 10.11). Gfortran 5.2 for Yosemite. OS X 10.10) and later (works well with El Capitan, OS X 10.11). Gfortran 4.9.2 for Yosemite. OS X 10.10).
François-Xavier Coudert | Researcher at CNRS & Chimie ParisTech
http://coudert.name/index.html
Welcome to Laura Scalfi, who joins the group for her Masters’ project. A good start to the year, as our perspective on defects, disorder and flexibility in metal organic frameworks. Jack Evans reveals the microsopic origins of Negative Gas Adsorption. In a paper published in. A collaboration with Lydéric Bocquet. Ecole Normale Supérieure, Physics department). Congratulations to Dr. Jean-Mathieu Vanson. For a great PhD defense! The group's review on Computational Chemistry for Nanoporous Materials. Great ...
François-Xavier Coudert | Researcher at CNRS & Chimie ParisTech
http://coudert.name/fx.html
I am a CNRS Researcher (. At Institut de Recherche de Chimie Paris. Research institute, in the. Theoretical Chemistry and Modeling. Team My research group there is centered mainly on molecular simulation at various scales, covering first principles methods (quantum chemistry calculations,. Molecular dynamics), classical methods (force field-based molecular dynamics and Monte Carlo), and mesoscopic modeling. Phone: 33 1 44 27 65 99. Day-to-day life in academia, ranting, etc. Curriculum vitæ in English.
François-Xavier Coudert | Research group
http://coudert.name/group.html
I work at Institut de Recherche de Chimie Paris. Research institute, in the. Theoretical Chemistry and Modeling. Team My research group there is centered mainly on molecular simulation at various scales, covering first principles methods (quantum chemistry calculations,. Molecular dynamics), classical methods (force field-based molecular dynamics and Monte Carlo), and mesoscopic modeling. Below is a list of current and past members of the group. Professor at Université Pierre et Marie Curie. Visiting pro...
François-Xavier Coudert | Publications
http://coudert.name/publications.html
Interplay between defects, disorder and flexibility in metal-organic frameworks. T D Bennett, A. K. Cheetham, A. H. Fuchs and F.-X. Coudert,. 9 (1), 11 16. Origins of Negative Gas Adsorption. J D Evans, L. Bocquet and F.-X. Coudert,. 1 (6), 873 886. A pressure-amplifying framework material with negative gas adsorption transitions. 532, 348 352. Encoding complexity within supramolecular analogues of frustrated magnets. 8, 442 447. D Corradini, F.-X. Coudert and R. Vuilleumier,. 8, 454 460. 8, 250 257.
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crystallography365.wordpress.com
Authors | Crystallography365
https://crystallography365.wordpress.com/authors
Blogging a Crystal Structure a day in 2014. Skip to primary content. In alphabetical order, here are all the people that have contributed to the crystallography 365 project. Is a final year DPhil student in Dr Andrew Goodwin’s research group at the University of Oxford. Jasper has spent his DPhil working on functional materials, where the materials’ properties are directly linked with and influenced by the dimensionality of their structures. Such materials include one-dimensional ice ...Is a Professor of...
Postdoc position open in my group - FX's blog: musings on chemistry, among other things…
http://blog.coudert.name/post/2015/02/02/Postdoc-position-open-in-my-group
FX's blog: musings on chemistry, among other things. 171; Why correcting the scientific record is hard. Tired of issues , concerns and worrying signs. Postdoc position open in my group. On Monday 2 February 2015, 22:10 - Permalink. I'm happy to announce there is an open postdoc position in my research group. Rational Design of Framework Materials with Tailored Mechanical and Thermal Properties: A Combined Physics/Chemistry Approach. Part of a collaboration between myself ( François-Xavier Coudert.
Telfer Lab
http://www.telfergroup.net.nz/home
Welcome to Shane Telfer's. Research group website. We are a team of synthetic chemists who make porous materials and light-adsorbing compounds for applications in gas storage, catalysis and solar energy devices. We are based in the Institute of Fundamental Sciences. We are also proud to be part of the MacDiarmid Institute for Advanced Materials and Nanotechnology. Cui and Wei join us on a year-long sabbatical from Nankai and Tianjin Universities. Is out in JACS. A great note to leave NZ on! About our res...
Computational Chemistry Highlights: January 2015
http://www.compchemhighlights.org/2015_01_01_archive.html
Important recent papers in computational and theoretical chemistry. A free resource for scientists run by scientists. Tuesday, January 27, 2015. Construction of a Highly Distorted Benzene Ring in a Double Helicene. Hashimoto, S. Nakatsuka, S. Nakamura, M. Hatakeyama, T. Angew. Chem. Int. Ed. 2014, 53, 14074-14076. Contributed by Steven Bachrach. Reposted from Computational Organic Chemistry. And its x-ray crystal structure is reported. The compound exhibits C. The B3LYP/6-31G(d) structure of 1. B3LYP/6-3...
Periodic table: PDF and Illustrator template - FX's blog: musings on chemistry, among other things…
http://blog.coudert.name/post/2014/09/10/Periodic-table:-PDF-and-Illustrator-template
FX's blog: musings on chemistry, among other things. 171; Publishing chemical structures in the 21st century. Author-produced PDF from LaTeX on the arXiv. Periodic table: PDF and Illustrator template. On Wednesday 10 September 2014, 23:47 - Permalink. Well, I have really neglected this blog. So little free time a lot of which is spent on Twitter! Including new elements Cn, Fl and Lv, as well as a color version in addition to b&w. I am sharing it here so Google can find it:. Periodic Table (with colors).
peer review - FX's blog: musings on chemistry, among other things…
http://blog.coudert.name/category/peer-review
FX's blog: musings on chemistry, among other things. Friday 6 March 2015. Tired of issues , concerns and worrying signs in published papers. On Friday 6 March 2015, 11:59. Recent examples that annoy me significantly:. TEM images with worrying signs of manipulation. And that's using very cautious language for something that looks clear-cut) in 4 papers by the same authors including 3 papers in a journal where the author is also an editor. Full story over there. And from this 2015 paper. I'm tired of this.
publishing - FX's blog: musings on chemistry, among other things…
http://blog.coudert.name/category/publishing
FX's blog: musings on chemistry, among other things. Friday 11 December 2015. Same-journal citation in Chemistry. On Friday 11 December 2015, 13:58. 9 months, no blog entry). This week, I read two articles on very different aspects of citation patterns. The first one was an analysis, by Stuart Cantrill over at the. Blog, of the journal's impact factor citation distribution. The second was a very enlightening. Paper from 2012 on Coercive Citation in Academic Publishing. First, we see that in all three jou...
Why correcting the scientific record is hard - FX's blog: musings on chemistry, among other things…
http://blog.coudert.name/post/2014/12/01/Why-correcting-the-scientific-record-is-hard
FX's blog: musings on chemistry, among other things. 171; Author-produced PDF from LaTeX on the arXiv. Postdoc position open in my group. Why correcting the scientific record is hard. On Monday 8 December 2014, 23:55 - peer review. Dynamics Theory of Crystal Lattices. His and subsequent books usual give explicit expressions only for common high-symmetry crystals (cubic, hexagonal, etc.). Over the course of a few days, we wrote a short paper. Phys Rev. B. First, it took the editor some time to send the pa...
Evolution of chemistry writing over 5 decades (part 1) - FX's blog: musings on chemistry, among other things…
http://blog.coudert.name/post/2014/02/21/Evolution-of-chemistry-writing-over-5-decades
FX's blog: musings on chemistry, among other things. 171; The blog is dead. Globalization of chemistry over 5 decades (part 2). Evolution of chemistry writing over 5 decades (part 1). On Friday 21 February 2014, 22:16 - publishing. If there's one thing that a scientist likes, it's playing with data! Average number of authors. The histograms above show the number of authors for a given paper. There is a clear trend towards papers with longer author lists. The average number of affiliations increased from ...
Globalization of chemistry over 5 decades (part 2) - FX's blog: musings on chemistry, among other things…
http://blog.coudert.name/post/2014/02/26/Evolution-of-chemists-world-over-5-decades-(part-2)
FX's blog: musings on chemistry, among other things. 171; Evolution of chemistry writing over 5 decades. Creating a Twitter bot to survey the literature. Globalization of chemistry over 5 decades (part 2). On Wednesday 26 February 2014, 10:37 - publishing. This article is the second part of a series on the evolution of chemistry papers between 1961 and 2011, in which I play with data from JACS papers. Part 1 is here. Put it: More of everything. I also looked at the 1% (of authors with the most papers per...
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François-Xavier Coudert | Researcher at CNRS & Chimie ParisTech
A good start to the year, as our perspective on defects, disorder and flexibility in metal organic frameworks. Jack Evans reveals the microsopic origins of Negative Gas Adsorption. In a paper published in. A collaboration with Lydéric Bocquet. Ecole Normale Supérieure, Physics department). Congratulations to Dr. Jean-Mathieu Vanson. For a great PhD defense! Very successful collaboration with the Saint-Gobain research center (CREE) in Cavaillon. On his first paper in the group! Three in a row! FX Coudert ...
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J'avais oublié de fermer ce blog, mais devant ce dernier com' "anonyme" je vais le faire très rapidemment . Pour celles et ceux qui le souhaitent vous savez comment me contacter! On ne s'ennuie pas! Comme la plupart des bloggeuse, ma vie est un tourbillon . j'essaie d'être une maman, une épouse, une working girl . bref c'est pas une mince affaire, mais voici, quand même un petit résumé des quelques jours qui viennent de passer. Une écharpe pour tenir son joli bras platré! Juste parce que . Je me glisse d...
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