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Welcome to CPMD.org — CPMD.orgThe CPMD Consortium page.
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Welcome to CPMD.org — CPMD.org | cpmd.org Reviews
https://cpmd.org
The CPMD Consortium page.
cpmd.org
PseudoPotentias Webpage — CPMD.org
http://cpmd.org/highlights/PseudoPotentials/Polymorphic
Only in current section. Cookies are not enabled. You must enable cookies before you can log in. Mdash; filed under: Highlight. We are making available the most used pseudo-potentials together with proper references a the following URL: http:/ cpmd.org/documentation/pseudo-potentials. We will continue populating this database so to make the pseudo-potentials choice an easier and controlled process. August 2016 ». 2000-2016 jointly by IBM Corp. And by Max Planck Institute.
News — CPMD.org
http://cpmd.org/news
Only in current section. Cookies are not enabled. You must enable cookies before you can log in. Mdash; filed under: News. There are currently no items in this folder. August 2016 ». 2000-2016 jointly by IBM Corp. And by Max Planck Institute. It is distributed free of charge to non-profit Organizations under the CPMD Free License.
Patches available for v4.1 — CPMD.org
http://cpmd.org/news/patches-available-for-3.17.1
Only in current section. Patches available for v4.1. Patches available for v4.1. Cookies are not enabled. You must enable cookies before you can log in. Patches available for v4.1. Mdash; filed under: News. Patch files are available for the 4.1 version. When downloading the main release, please do not forget to download also the patch files - which are not part of the standard package - and apply them according instructions. August 2016 ». 2000-2016 jointly by IBM Corp. And by Max Planck Institute.
New Release - CPMD v4.1 — CPMD.org
http://cpmd.org/news/copy_of_cpmd-v4.1
Only in current section. New Release - CPMD v4.1. New Release - CPMD v4.1. Cookies are not enabled. You must enable cookies before you can log in. New Release - CPMD v4.1. Mdash; filed under: News. A new release of CPMD (v4.1) is now available on line. We have the pleasure to announce the release of CPMD v 4.1. Beyond cleanup and bug fixes improving the stability of all functionalities, we also report the implementation of new features such as:. August 2016 ». 2000-2016 jointly by IBM Corp.
CPMD Licence — CPMD.org
http://cpmd.org/download/cpmd-licence
Only in current section. Apply for a License. Cookies are not enabled. You must enable cookies before you can log in. This is the CPMD free License. Early Release Software Program License Agreement For CPMD Version 4.1. The term "Feedback" means Improvements and any ideas, concepts, know-how, techniques, and data pertaining to the Program and Improvements disclosed by you to IBM. The term "Early Release" means that the Program is not formally released or generally available. The term does not imply t...
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Center for Physics of the University of Coimbra
http://cfisuc.fis.uc.pt/links.php
EMSL Basis Set Exchange.
News
https://www.crunchyard.com/news.aspx
Fill in email address. Your email is not in the correct format. Fill in your password. Password must be between 6 and 50 characters. Please do not use easy to guess passwords. FEKO version 7.0. FEKO suite version 7.0 available on CrunchYard. FEKO suite version 7.0 available on CrunchYard. An account at www.crunchyard.com. Or email us at info@crunchyard.com. CrunchYard is pleased to announce direct scripting and FTP access for advanced users. Other licensed codes are available on request. Group accounts c...
CompChem - HP-SEE Wiki
http://wiki.hp-see.eu/index.php/CompChem
Scientific and Social Impact. Technical features and HP-SEE implementation. Running on Several HP-SEE Centres. Application's name : Quantum Mechanical, Molecular Mechanics, and Molecular Dynamics computation in chemistry. Virtual Research Communities : VRC Computational Chemistry. Scientific contact : Ivan Juranic, ijuranic@chem.bg.ac.rs. Technical contact : Ivan Juranic, ijuranic@chem.bg.ac.rs. Developers : Ivan Juranic, University of Belgrade, Faculty of Chemistry, Republic of Serbia. Simulations descr...
Center for Computational Physics
http://cfc.fis.uc.pt/links.php
EMSL Basis Set Exchange.
QM/MM Force Matching | LCBC
http://lcbc.epfl.ch/page-96251-en.html
Jump to search field. Laboratory of Computational Chemistry and Biochemistry. Materials for Solar Cells. Exercices - Introduction to electronic structure methods. Exercices - Molecular Dynamics and Monte Carlo Simulations. Parameterisation of biomolecular force fields based on QM/MM reference calculations. The original method has been published as:. J Chem. Theory Comput. 3, 628-639. doi: 10.1021/ct600284f. Please cite additionally for results obained using the QM/MM Force Matching implementation in CPMD:.
Theoretical Chemistry - Links
http://www.theochem.uni-hannover.de/links1.html
IBM Research - Zurich. Insitute of Inorganic Chemistry. Institute of Organic Chemistry. Institute of Physical Chemistry and Electrochemistry. Institute of Technical Chemistry. Institute of Food Chemistry. Last Change: 16.03.15. Editorial Responsibility I. Frank. URL: http:/ www.theochem.uni-hannover.de/links1.html. Editorial Responsibility I. Frank. Last Change: 16. March 2015, 10:59. Editorial Responsibility I. Frank. Last Change: 16.03.15.
Cores - FaHWiki
http://fahwiki.net/index.php/Cores
Double Gromacs B core. Double Gromacs C core. Gromacs CVS SMP core. Gromacs SMP2 bigadv core. Gromacs Simulated Tempering core. The 'core' is the program that performs the calculations. The same core is used by various versions of the client and is automatically updated whenever necessary. This provides an easy way for the scientific calculations to be improved without requiring you to install a new version of the client. There are several different cores:. V55 W, v46 L). NV OPENMM / ATI OpenCL. Instruct...
CPMD – BioExcel
http://bioexcel.eu/software/cpmd
Centre of Excellence for Computational Biomolecular Research. Centre of Excellence for Computational Biomolecular Research. WHAT IS CPMD DOING? The CPMD code ( http:/ www.cpmd.org. Plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for. Any user who wants to study phenomena where:. Electrons are directly involved, e.g. in bond formation/breaking in chemical reactions or in performing spectroscopic predictions. Atomic coordinates and species. Molecular dynamics (...
DDDC
http://dddc.ac.cn/links.htm
Kuntz’s Dock Homepage at UCSF. Sussman’s Group at Weizmann. Theoretical molecular biophysics group at the MPI for biophysical chemistry. Dr Jianpeng Ma’s Group at Baylor College of Medicine and at Rice University. The RCSB Protein Data Bank. WILEY-VCH Angewandte Chemie International Home Page. Journal of Molecular Modeling. The EMBO Journal Online. Molecular Docking Tools from Garrett M. Morris' Home Page. Welcome to the NIST WebBook. Drug Discovery Today Current Issue. Journal of Biological Chemistry.
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CPMD l SA | College of People Management & Development
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CPMD / CONTADORES PUBLICOS CERTIFICADOS. Tel: (55)56-01-73-17 o al 01-800-890-6951. Somos una firma de Contadores Públicos Certificados que proporciona servicios integrales de auditoría, impuestos, contabilidad y asesoría. Gente que demuestra respeto y trabajo en equipo, con energía, entusiasta, y que construye relaciones basadas en hacer lo correcto. Asesoria contable y fiscal. Servicios contables y fiscales. Sitio web diseñado por Sicomweb. SEO and Design by:.
Welcome to CPMD.org — CPMD.org
Only in current section. Cookies are not enabled. You must enable cookies before you can log in. Welcome to CPMD.org. The CPMD Consortium page. The CPMD code is a parallelized plane wave / pseudopotential. Implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics. Vice President Europe and Director of IBM Zurich Research Laboratory) and was founded by Prof. Michele Parrinello. USI) and Prof. Wanda Andreoni. March 2018 ». 2000-2018 jointly by IBM Corp.
CpMd's blog - Une Viie ....... La Mienne - Skyrock.com
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