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[cond-mat/9805271] Car-Parrinello Molecular Dynamics on excited state surfaces...
http://arxiv.org/abs/cond-mat/9805271
[physics/0212007] Ab Initio Molecular Dynamics Study of Aqueous Solvation of Eth...
http://arxiv.org/abs/physics/0212007
Computational Methods in Biology - Bio Eng 143...
http://bioeng.berkeley.edu/syllabus/143syllabus.html
Stuff...
http://cc.oulu.fi/~asillanp/official/res_etc.html
ChIN's list page: Chemical Software->Molecular Modeling...
http://chemport.ipe.ac.cn/ListPageE/L46.shtml
Car-Parrinello Molecular Dynamics...
http://civet.berkeley.edu/tangney/Thesis/node3.html
The Car-Parrinello Method...
http://civet.berkeley.edu/tangney/Thesis/node4.html
Car-Parrinello Lagrangian...
http://cmt.dur.ac.uk/sjc/thesis/thesis/node24.html
Molecular Dynamics...
http://cmt.dur.ac.uk/sjc/thesis/thesis/node27.html
Chemical Physics Letters 369 (2003) 159164 ...
http://comp-phys.univie.ac.at/dellago/papers/CPL_369_159_2003.pdf
Car-Parrinello Molecular Dynamics Study of the Charge Density Wave PtX Linea...
http://flux.aps.org/meetings/BAPSMAR96/abs/S190007.html
Car-Parrinello Molecular Dynamics Study of the Charge Density Wave PtX Linea...
http://flux.aps.org/meetings/YR9596/BAPSMAR96/abs/S190007.html
Ab-initio molecular dynamics study of diffusion and defects in solid Li3N...
http://info.tuwien.ac.at/theochem/publ/li3n.html
RESEARCH UNIT : MANY-BODY PROBLEMS - MOLECULAR MODELING...
http://inwfaxp2.rug.ac.be/~web/onderzoek/proj_mm_1.html
Laboratory of Computational Chemistry and Biochemistry, Lausanne, Switzerland...
http://lcbcpc21.epfl.ch/Group_members/Ursula/talks.html
Laboratory of Computational Chemistry and Biochemistry, Lausanne, Switzerland...
http://lcbcpc21.epfl.ch/Research/research4.html
Publications...
http://lcbcpc21.epfl.ch/publications.html
Centre for Molecular Modelling - Kinetics of chemical reactions from first princ...
http://molmod.ugent.be/research/mm_genereal-abinitio-kinectics.xml
Seminar: Moleküle im Rechner...
http://page.mi.fu-berlin.de/~burkhard/Seminars/MiR/Abstracts/doltsinis.html
Solvation Structure of Hydroxyl Radical by Car-Parrinello Molecular Dynamics...
http://pubs.acs.org/cgi-bin/abstract.cgi/jpcafh/2005/109/i02/abs/jp0461807.
Liquid Water from First Principles: Investigation of Different Sampling Approach...
http://pubs.acs.org/cgi-bin/abstract.cgi/jpcbfk/2004/108/i34/abs/jp047788i.
CECAM workshop: Participants...
http://research.chem.psu.edu/shsgroup/cecam/participants.html
V ...
http://simu.ulb.ac.be/newsletters/N3V.pdf
Issue 5 Chapter V ...
http://simu.ulb.ac.be/newsletters/N5V.pdf
leeg...
http://tc.chem.vu.nl/~ensing/cpmdtext.html
Car-Parrinello Molecular Dynamics...
http://tiger.berkeley.edu/tangney/Thesis/node3.html
Course on Electronic Structure and Car-Parrinello...
http://titus.phy.qub.ac.uk/group/Jorge/Elect_struc/
Publications and Presentations...
http://vivaldi.chem.uwo.ca/publications.htm
9/8/04 ...
http://web.mit.edu/10.675/www/syllabus.pdf
Cynthia Lo's CV...
http://web.mit.edu/clo/www/Academics/cv.html
DNA base oxidation: A Car-Parrinello molecular dynamics study of thymine in the ...
http://www-cms.llnl.gov/ccms_summer_inst/success02_images/PDFs/wu.pdf
Cargese Euroschool ...
http://www-drfmc.cea.fr/SP2M/L_Sim/Congres/Corse_2001/vanderbilt.pdf
Past CECAM Tutorials...
http://www.cecam.fr/activities/tutorials/past-tutorials.html
Daniel Kosov's research group...
http://www.chem.umd.edu/groups/kosov/publications.htm
Theoretische Chemie - Faculteit der Exacte Wetenschappen - Vrije Universiteit Am...
http://www.chem.vu.nl/tc/onderzoek/
Research in the Quantum Chemistry Group...
http://www.chemie.hu-berlin.de/ag_sauer/research.html
CPMD ...
http://www.cilea.it/servizi/b/chimica/cpmd/CPMD.pdf
Three-dimensional structure of Emeraldine ...
http://www.cineca.it/editions/ssc2003/2003/phy01.pdf
Carlo Cavazzoni Phd Thesis...
http://www.cineca.it/~acv0/thesis.html
Applications of Car-Parrinello Molecular Dynamics for the Modelization of Enzima...
http://www.ciri.upc.es/projects/support/support_archivos/carme_rovira_proje
Car-Parrinello molecular dynamics...
http://www.cmm.upenn.edu/~ensing/thesis/node10.html
Our model...
http://www.cmm.upenn.edu/~ensing/thesis/node5.html
Peter's Publications...
http://www.cobalt.chem.ucalgary.ca/group/Ind_Home_Pages/margl/publications.
CPMD consortium page : the code...
http://www.cpmd.org/cpmd_thecode.html
Research Topics...
http://www.cup.uni-muenchen.de/pc/frank/res_e.html
DEMOCRITOS - ACTIVITIES - BioMod...
http://www.democritos.it/activities/BioMod.php
Quantum Studies of Polymer Semiconductors...
http://www.eih.uh.edu/publications/98annrep/bittner.htm
Chapter 4 Epoch Making Simulation ...
http://www.es.jamstec.go.jp/esc/images/annualreport2003/pdf/project/chapter
First Principles Molecular Dynamics...
http://www.fhi-berlin.mpg.de/th/Meetings/FHImd2001/bockstedte.html
This is Hälge...
http://www.fos.su.se/physical/aatto/helge/
Inverse Monte Carlo...
http://www.fos.su.se/physical/sasha/invmc.html
This is Hälge...
http://www.fos.su.se/~aatto/helge/
Car-Parrinello ab-initio molecular dynamics...
http://www.fysik.dtu.dk/~ohnielse/dacapo/node1.html
John von Neumann Institute for Computing ...
http://www.fz-juelich.de/nic-series/volume20/doltsinis.pdf
Huber: Supporting Car-Parrinello Molecular Dynamics with UNICORE...
http://www.fz-juelich.de/zam/docs/autoren2001/huber
cv...
http://www.homepages.ucl.ac.uk/~uccaati/cv.html
Bull. Mater. Sci., Vol. 26, No. 1, January 2003, pp. 123125. © Indian Academy o...
http://www.ias.ac.in/matersci/bmsjan2003/Bms3879.pdf
Datum/Zeit:...
http://www.igc.ethz.ch/c4/seminar-04/COLLOQ150404.htm
The structure and dynamics of the Fe-CO bond in myoglobin...
http://www.iop.org/EJ/abstract/0953-8984/15/18/314
Molecular dynamics for chemically bonded systems...
http://www.iop.org/EJ/abstract/0953-8984/2/23/006
...
http://www.jncasr.ac.in/moumita/TCS_BARC.ppt
Rend. Fis. Acc. Lincei ...
http://www.lincei.it/pubblicazioni/rendicontiFMN/rol/pdf/S2004-02-06.pdf
Cecam: CPMD Tutorial...
http://www.lptl.jussieu.fr/users/vuilleum/cecam/cpmd_2002.html
1 Born-Oppenheimer Molecular Dynamics ...
http://www.lptl.jussieu.fr/users/vuilleum/rod/md-4.pdf
...
http://www.lrz-muenchen.de/projekte/hlrb-projects/details/h0731_dt.htm
Cynthia Lo's CV...
http://www.mit.edu/people/clo/Academics/cv.html
CarParrinello Molecular Dynamics ...
http://www.mml.ch.pwr.wroc.pl/events/workshop/abs/szefczyk.pdf
Molecular dynamics...
http://www.mpip-mainz.mpg.de/~sebastia/dr/node53.html
Fifteen years of the Car-Parrinello method in Physics and Chemistry...
http://www.msi.umn.edu/general/Symposia/car/5.html
Fifteen years of the Car-Parrinello method in Physics and Chemistry...
http://www.msi.umn.edu/general/Symposia/car/current_program.html
Molecular Modeling at SNS...
http://www.nest.sns.it/old/MolecularModeling.html
1.4 ...
http://www.nest.sns.it/~giannozz/Papers/handbook1.pdf
NSC Project 2003216...
http://www.nsc.liu.se/projects/project_2003216.html
DNA base damage: A Car-Parrinello Molecular Dynamics Study of Guanine and Thymin...
http://www.nsti.org/procs/Nanotech2003v1/1/X21.02
DNA base damage: A Car-Parrinello Molecular Dynamics Study of Guanine and Thymin...
http://www.nsti.org/procs/Nanotech2003v3/8/X21.02
...
http://www.parallab.uib.no/resources/regatta/software/chem_quantum/
Mechanical Manipulation of Siloxane Elastomers: ...
http://www.phys.jyu.fi/essn04/hotAbstracts/Lupton.pdf
PHY498A Lecture Notes 19...
http://www.physics.uiuc.edu/research/ElectronicStructure/498-s97/lnotes/lec
Lecture 14: "Quantum Molecular Dynamics" (Car-Parrinello-type methods...
http://www.physics.uiuc.edu/research/ElectronicStructure/598SCM-F04/lecture
Matteo Cavalleri Curriculum Vitae ...
http://www.physto.se/~teo/CV_eng.pdf
Extended Space Car-Parrinello Molecular Dynamics ...
http://www.princeton.edu/~es2001/Program/Marzari.pdf
PSC to Partner in Quantum Molecular Dynamics and Tele-Immersion...
http://www.psc.edu/publicinfo/news/2001/nsfgrants-10-01-01.html
[[[ Mauro BOERO ]]] ...
http://www.px.tsukuba.ac.jp/home/tcm/oshiyama/HP_BOERO/English/publi_HP.pdf
RMIT - Merchant, Dr. Alexander...
http://www.rmit.edu.au/staff/alex.merchant
Publications...
http://www.sas.upenn.edu/chem/groups/klein/latest_publications/publi_96.htm
Raugei Simone's publications...
http://www.sissa.it/~raugei/publications.html
ESQC-00 posters...
http://www.teokem.lu.se/esqc/00/posters/
TheoChem at RUB - Research - Marx - CP-Rev...
http://www.theochem.rub.de/go/cprev.html
CPMD Tutorial...
http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-tutor/part6.htm
VOLUME 88, NUMBER 16 P H Y S I C A L R E V I E W L E T T E R S 22 APRIL 2002 ...
http://www.theochem.ruhr-uni-bochum.de/~nikos.doltsinis/prl88-2002-166402.p
THE JOURNAL OF CHEMICAL PHYSICS 122, 054112 2005 ...
http://www.theochem.ruhr-uni-bochum.de/~nikos.doltsinis/tmd-jcp-2005.pdf
Quantum simulations of molecular devices...
http://www.theochem.uni-frankfurt.de/~kosov/cpmd.html
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