maciejharanczyk.info

Maciej Haranczyk - Webpage

Information-Driven Chemistry and Material Science. I am a Staff Scientist in the Scientific Computing Group. I am a computational chemist. I work on tools and approaches that combine quantum chemistry, molecular simulations, chemoinformatics, combinatorial chemistry, applied mathematics and computer science to provide new capability - Ability to discover new molecules and materials with desired properties. I am also interested in scientific visualization. Lawrence Berkeley National Laboratory. Our chemin...

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Maciej Haranczyk - Webpage | maciejharanczyk.info Reviews

<META> DESCRIPTION

Information-Driven Chemistry and Material Science. I am a Staff Scientist in the Scientific Computing Group. I am a computational chemist. I work on tools and approaches that combine quantum chemistry, molecular simulations, chemoinformatics, combinatorial chemistry, applied mathematics and computer science to provide new capability - Ability to discover new molecules and materials with desired properties. I am also interested in scientific visualization. Lawrence Berkeley National Laboratory. Our chemin...

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8 scientific computing group

9 computational research division

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Maciej Haranczyk - Webpage | maciejharanczyk.info Reviews

https://maciejharanczyk.info

Information-Driven Chemistry and Material Science. I am a Staff Scientist in the Scientific Computing Group. I am a computational chemist. I work on tools and approaches that combine quantum chemistry, molecular simulations, chemoinformatics, combinatorial chemistry, applied mathematics and computer science to provide new capability - Ability to discover new molecules and materials with desired properties. I am also interested in scientific visualization. Lawrence Berkeley National Laboratory. Our chemin...

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maciejharanczyk.info

1

Maciej Haranczyk - Webpage

http://www.maciejharanczyk.info/software.php

Tools for high-throughput characterization of crystalline porous materials. Tools for manipulation of molecular orbitals and the related electron densities. Tools for study of congeneric sets of organic pullutants. Set of Perl scripts to extract results from Gaussian outputs.

2

M. Haranczyk - Cover Gallery

http://www.maciejharanczyk.info/gallery.php

Highlights of my work on journals' covers. Here is where you will find graphical highlights of my research projects. The visualization of diffuse molecular orbitals created with my OpenCubMan program was featured on the cover of Science magazine. For more information on the research article, please have a look here. Journal of Computational Chemistry. Combining Quantum Chemistry and Cheminformatics. My work on Combinatorial-Computational-Chemoinformatics (C. Physical Chemistry Chemical Physics. Our artic...

3

Maciej Haranczyk - Webpage

http://www.maciejharanczyk.info/pubs.php

Algorithms and Software Tools for Exploration of Chemical Spaces, Charge Distributions, and Solvation Effects. Applications thereof to DNA Fragments." - University of Gdansk, Poland, 2008. Click here to download. Advisor: Prof. Maciej Gutowski. Referees: Prof. Lucjan Piela (University of Warsaw, Poland) and Prof. Jozef A. Liwo (University of Gdansk, Poland). Books and book chapters. J Rak, K. Mazurkiewicz, M. Kobylecka, P. Storoniak, M. Haranczyk. Research Articles (h-index: 20). R L Martin, Prabhat, D&#...

4

Maciej Haranczyk - Webpage

http://www.maciejharanczyk.info/index.php

Information-Driven Chemistry and Material Science. I am a Staff Scientist in the Scientific Computing Group. I am a computational chemist. I work on tools and approaches that combine quantum chemistry, molecular simulations, chemoinformatics, combinatorial chemistry, applied mathematics and computer science to provide new capability - Ability to discover new molecules and materials with desired properties. I am also interested in scientific visualization. Lawrence Berkeley National Laboratory. Our chemin...

5

Maciej Haranczyk - Webpage

http://www.maciejharanczyk.info/cv.php

Doctor of Philosophy in Chemistry, University of Gdansk, Poland, 2008. Dissertation titled "Algorithms and Software Tools for Exploration of Chemical Spaces, Charge Distributions, and Solvation Effects. Applications thereof to DNA Fragments." prepared under supervision of Prof. Maciej Gutowski (Heriot-Watt University, Edinburgh, UK). Master of Science in Physical Chemistry, University of Gdansk, Poland, 2003. Employment and research experience. Post-Masters position in the Molecular Interactions and Tran...

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nisseshem.de

Nils E. R. Zimmermann

http://www.nisseshem.de/media0006.html

Nils E. R. Zimmermann. I am a researcher who is active in the field of Computational Physical Chemistry. Currently, my work is focused on properties of materials with defects and it is part of the Materials Project. Furthermore, I am interested in transport problems of technically relevant molecules under confinement and in nucleation and polymorph selection. Materials and Climate Group. 1 Cyclotron Road, MS 50F-1650. Berkeley, CA 94720. Phone: 1 805 708 5799. Fax: 1 510 486 5812. Two of which we are sho...

berkeleycheme.github.io

What are the best materials to separate a Xe/Kr mixture? – Berkeley ChemE Blog

http://berkeleycheme.github.io//articles/xekr

What are the best materials to separate a Xe/Kr mixture? June 01, 2015. The noble gases xenon (Xe) and krypton (Kr) have several applications. Xenon is used as an anesthetic and for imaging in the health industry and as a satellite propellant in the space industry. Both xenon and krypton are used in lighting, in lasers, in double glazing for heat-insulated windows, and as carrier gases in analytical chemistry. Cryogenic distillation to separate this Xe/Kr mixture. The most selective materials are. Xenon ...

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Maciej Gudan's tech blog. Saturday, January 14, 2012. How to create in git a remote repo from a local one? To create a remote repo from a local one follow the steps:. L: git commit -a -m "Message". R: git init - bare. R: chmod -R g w repo. R: chown -R repo:users repo. L: git push ssh:/ remote server/home/repo master. I'm not sure how correct it is and if the access rights need to be like that but it works:). Linki do tego posta. Thursday, July 14, 2011. 1) Export contacts as vcards on N900. I encourage e...

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maciejharanczyk.info

Maciej Haranczyk - Webpage

Information-Driven Chemistry and Material Science. I am a Staff Scientist in the Scientific Computing Group. I am a computational chemist. I work on tools and approaches that combine quantum chemistry, molecular simulations, chemoinformatics, combinatorial chemistry, applied mathematics and computer science to provide new capability - Ability to discover new molecules and materials with desired properties. I am also interested in scientific visualization. Lawrence Berkeley National Laboratory. Our chemin...

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