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Teodoro Laino - Admin

Location: IBM Zurich Research Laboratory

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Article Reference
Control of Carbon Nanotube Electronic Properties by Lithium Cation Intercalation Nov 24, 2014
A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water Mar 28, 2016
Simulated Solute Tempering in Fully Polarizable Hybrid QM/MM Molecular Dynamics Simulations Feb 10, 2016
Tuning the Reactivity of a $Cu/ZnO$ Nanocatalyst via Gas Phase Pressure Jun 04, 2015
Cu/ZnO nanocatalysts in response to environmental conditions: surface morphology, electronic structure, redox state and CO2 activation Jun 04, 2015
Bibliography Folder
All Publications Apr 17, 2009
Ab Initio Molecular Dynamics with controlled pressure Apr 20, 2009
General Bibliographical References Apr 17, 2009
Metadynamics Apr 20, 2009
Time Dependent DFT Apr 20, 2009
Book Reference
Ionic Liquids UnCOILed: Critical Expert Overviews Jan 10, 2013
Advances in Chemical Physics Jan 10, 2013
Ab Initio Molecular Dynamics Mar 22, 2011
Transition Path Sampling Aug 19, 2010
Collage
Publications related to CPMD Apr 21, 2009
CPMD Download Apr 22, 2009
Welcome to CPMD.org Apr 21, 2009
Performance and Scale out Nov 07, 2011
CPMD Mailing List Apr 22, 2009
Page
CPMD Licence Apr 20, 2009
2016 Feb 10, 2016
2015 Apr 21, 2009
PseudoPotentias Webpage Oct 04, 2013
Download Area Structure Apr 22, 2009
Event
Nonadiabatic quantum dynamics with MCTDH and CPMD Feb 28, 2012
CPMD Tutorial 2012 Feb 02, 2012
Question
What can CPMD do? What is implemented? Apr 16, 2009
I get unresolved references when linking or a segmentation fault when trying to run the code. What can I do? Apr 16, 2009
So I have downloaded the code. What now? Apr 16, 2009
Where can I get the pseudopotentials? Apr 16, 2009
I could not compile CPMD using g77 or f2c/gcc. What do I need to do? Apr 16, 2009
FAQ
FAQs Apr 16, 2009
Features Apr 16, 2009
Download and Installation Apr 16, 2009
General Apr 16, 2009
File
PDF Manual Jul 21, 2015
HCTH GO Jun 08, 2015
PBE GO Jun 08, 2015
BLYP GO Jun 08, 2015
PBE GO Jun 08, 2015
Folder
PseudoPotentials Oct 04, 2013
Curium May 22, 2015
Plutonium May 22, 2015
Uranium May 22, 2015
Lead May 22, 2015
Form Folder
Lost Username Sep 30, 2011
Report New Bibliographical Entries about CPMD Sep 30, 2011
CPMD License Application Apr 20, 2009
Image
PseudoPotentias Webpage Jun 26, 2015
Free energy Surface Oct 04, 2013
SPRINT highlight Jun 24, 2014
SPRINT CV larger Jun 24, 2014
HFX CPMD scaling Mar 18, 2014
Inbook Reference
Ab-initio Molecular Dynamics: Theory and Implementation Apr 17, 2009
Incollection Reference
Understanding the Influence of Nickel Doping in a Tungsten Grain Boundary on Mechanical Strength Jan 16, 2014
Carbon Networks in the Solid State: A Setup Test for Computational Plane-Wave Studies of Mechanical and Electronic Properties Jan 16, 2014
Ab-Initio Calculations of the Vibrational Properties of Nanostructures Jan 16, 2014
Ab Initio Molecular Dynamics Jan 16, 2014
Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes Jan 10, 2013
Inproceedings Reference
Optimizing Utilization Across XSEDE Platforms Jan 16, 2014
Monitoring and Predicting Hardware Failures in HPC Clusters with FTB-IPMI Jan 10, 2013
Distributed Infrastructure for Multiscale Computing Jan 10, 2013
Phase change materials: Density functional / molecular dynamics simulations of Ag/In-doped Sb4Te alloy Jan 10, 2013
Competitive Solvation and Chemisorption in Silver Colloidal Suspensions Jan 10, 2013
Large Folder
News Apr 22, 2009
Events Apr 22, 2009
Link
All additional files generated for the CPMD Tutorial Sep 22, 2011
RESTART files of the CPMD Tutorial Sep 22, 2011
Output Files of the CPMD Tutorial Sep 22, 2011
Input files of the CPMD Tutorial Sep 22, 2011
Phdthesis Reference
Ab initio molecular dynamics study of nanoscale heat transfer and energy conversion Jan 16, 2014
Issue
Different Platforms (compilation checks) Jun 10, 2013
Performance analysis Jun 10, 2013
Deallocation checks Jun 10, 2013
Replace Common Blocks Jun 10, 2013
Issue Tracker
Track Issues Jun 26, 2015
Developers Issues Aug 27, 2013
Collection
year-2016 Apr 21, 2009
year-2015 Apr 21, 2009
Highlights Apr 06, 2011
year-2014 Apr 21, 2009
year-2013 Apr 21, 2009
Window
CPMD 2011 All Pictures Sep 13, 2011
CPMD HTML Manual Mar 22, 2011
CPMD Mailing List Configuration Apr 22, 2009
CPMD Mailing List Apr 22, 2009
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