Index

• Education
• libraries
  
• Open journals
  
• Open books
  
• Publishers
  
• Other Theoretical Chemistry Groups
  
• More Theoretical Chemistry
  
• Databases
• Climate
• Organisations and foundations
  
• Travel
  
• Quantum chemistry program packages
  
• Quantum dynamics program packages
  
• Other program packages
  
• Conferences
  
• Summer Schools, master programs
• Computer related stuff
  
• Conversion of atomic units
• The second quantum revolution
• Manuals
• Mailing lists FNWI, IMM, etc
• Stichting IT Projecten
• Finance & Control
• Reisaanvraag en declaratie formulieren
• IMM Forms for PhD students
• www.radboudnet.nl/declareren
• www.ris.ru.nl (Publiceren datasets)
• bass.ru.nl
• Restaurant FNWI

Education links

• OERen
• Education institutes
• Student advisors
• Intership forms
• Internship evaluation procedure (Dutch)
• BSc internship rubric
• Formulier Surveillance Informatie
• Jaarrooster FNWI (university calendar)
• Onderwijscatalogus
• Persoonlijk rooster, rooster, Jaarindeling FNWI,
• JIVE (jaarverslag)
• Brightspace
• Osiris docent ( Input course information)
• Room reservations
• Promotieregelement (doctorate regulations)
• Halkes Women Faculty Network
• Chemcollective.org
• Virtual Textbook or Organic Chemistry
• MIT open course ware.

BLOGS

• Franklin Feng Tao
• Lemeshko
• Open science (Dan Gezelter)
• EveryWhereChemistry (Rigoberto Hernandez)
• Nano blog

Libraries

• Library of the university of Nijmegen
  • Advanced search
  • RUQuest
  • Picarta (status IBL aanvragen onder "mijn profiel")
• apps.webofknowledge.com
• Find doi
• Scitation.aip.org

Open Journals, archives

• Natural Sciences (Wiley, open access, press release)
• Quantum journal
• Browse arXiv by year & month
• arXiv (Authority Records)
• DOAJ Directory of Open Access Journals
• www.ru.nl/openscience (includes a list of predatory journals)
• New Journal of Physics
• Frontiers in Physical Chemistry and Chemical Physics
• Journal of Modern Physics
• Nano, brief reports and reviews
• ChemRxiv, preprints
• C2W International
• Old issues of Annalen der Physik, digitized by the library of France

Open books

• Stonybrook library - physics books

Journals

• Journal of Chemical Physics
• Molecular Astrophysics
• European Journal of Physics D
• Chemical Physics
• Chemical Physics Letters
• Computer Physics Communications
  • Special issue Nuclear Quantum Effects
• Journal of Chemical Theory and Computation (ACS)
• Journal of Molecular Spectroscopy
• Journal of Physical Chemistry online
• Journal of Physics B
• Molecular Physics
• Nature (Advanced search) (Year-volume-page)
• Royal Society
  • Physical Chemistry Chemical Physics (PCCP)
  • Faraday discussions
  • PhysChemComm
  • Chemical Science
• APS
  • Physical Review A
  • Physical Review Letters
  • Physical focus
  • Journal of renewable and sustainable energy
• Science, News
• Theoretical Chemistry Accounts
• Journal of Quantitative Spectroscopy and Radiative Transfer
• Zeitschrift für Physik D
• Interdiciplinary Sciences--Computational Life Sciences
• NIST Digital Library of Mathematical Functions (old version:Abramowitz and Stegun: Handbook of mathematical functions)

Publishers

• www.aip.org/msinq/status.html (paper status)
• American Chemical Society (ACS) Journals
• American Institute of Physics (AIP) online Journals
• Americal Physical Society (APS) Journals
• Amazon.com
• Annual Reviews
  • Physical
• Baltzer Science Publishers (Journal of Mathematical Chemistry)
• Electronic Journal of Theoretical Chemistry, Structure & Interactions
• Elsevier
  • Elsevier online Journals
  • Elsevier Physics Journals
• Institute of Physics
• John Wiley & Sons, Inc. Publishers
• Journal of Molecular Modeling
• Nederlandse onderzoek Databank (NOD)
• NNV sectie atoomfysica en quantumelectronica, van A tot Q
• Oxford University Press
  • Physical Chemistry
• Scientific.net (Materials Science and Engineering)
• Springer

Theoretical Chemistry and Chemical Physics groups

• Molecular scattering groups in the UK
• Jérôme Loreau (Leuven)
• Brianna Heazlewood (Oxford)
• Theoretical Chemistry Group Heidelberg
• Miskhail Lemeshko (Austria)
• Laura K. McKemmish (University of New South Wales)
• Ramon Hernandez
• Kaestner, Stuttgart
• Robert van Leeuwen (Jyväskylä, Finland)
• Andrew J. Alexander (Edinburgh, UK)
• Claire Vallance (Oxford, UK)
• Anthony Meijer (Sheffield, UK)
• Max Born Institute (Marc Vrakking)
• Women in theoretical and computational chemistry
• Leo Meerts
• Theoretische chemie Wuppertal
• Stefan Willitsch (Basel, ultracold molecular ions)
• Pavanello @ Rutgers
• Steven Hoekstra (KVI)
• Johannes Neugebauer (Müenster)
• Comutational Physics and Chemistry (UvA)
• Computational Materials Science (UT)
• Computational Biophysics (W. Briels)
• Christoph Meier (Universite Paul Sabatier)
• Theoretical and Computational Chemistry (Xi Chu)
• Warsaw group
• CWI, Stacey Jeffery, Bastiaan Braams
• Theoretische Chemie Bonn (S. Peyerimhoff)
• Theoretische Chemie München (W. Domcke)
• Leiden Observatory, Department of Astronomy (Ewine van Dishoeck)
• Jeremy M. Hutson Group (Durham)
• Miller Group (UCBerkeley)
• Saykally Group (UCBerkeley)
• Anthony Stone (Cambridge, UK)
• David Manolopoulos (Oxford, UK)
• Herschel Rabitz (Princeton)
• Balakrishnan (University of Nevada)
• Sean Smith, University of Queensland
• Jonathan Tennyson (University College London), European task force laboratory astrophycis
• Don Truhlar Group (Mineapolis, Minnesota)
• Bochum
• Dan Gezelter (Notre Dame)

Experimental groups

• Gil Alexandrowicz (Swansea)

Cold and ultracold molecules groups, experiments

• Bas van de Meerakker
• Florian Schreck
• Rene Gerritsma (UVA, Amsterdam)
• Gerard Meijer (FHI, Berlin)
  • Jesús Pérez Ríos
  • Stefan Truppe
• Max Planck Institute of Quantum Optics
  • Ignacio Cirac
  • Xinyu Luo
• Silke Ospelkaus (Hannover)
• Simon Cornish (Durham)
• Martin Zwierlein (MIT)
• Kang-Kuen Ni (Harvard)
• John Doyle (Harvard)
• Tanya Zelevinsky (Cobumbia University, New York)
• Wes Campbell (UCLA)
• Yun Ye (JILA)
• Heather Lewandowski (JILA)
• Dajun Wang (Hong Kong)

More (Theoretical) Chemistry

• Mark Tuckerman
• Quantemol.com, R-matrix code
• ACMM (Amsterdam center for multiscale modeling)
• Van Voorhis (vdW DFT)
• Theonet II
• Rotational energy levels by Jon T. Hougen

Databases

• Molecular line list (Peter Bernath)
• The Diatomic Molecular Spectroscopy Database
• Materialsmodeling, Atoms under pressure
• Pseudopotentials Stuttgart/Cologne group (Hermann Stoll)
• SPLAT
• Atomic Molecular Data Services (International Atomic Energy Agency)
• CCP6 publications, software (A+BC, AB+CD, molscat, bound), etc
• Diatomics bibliography, description (Bas Braams) ORCID (Open Researcher and Contributor ID)
• The UMIST Database for Astrochemistry (UDFA)
• The KIDA KInetic Database for Astrochemistry
• NIST Chemical kinetics database
• Handbook of Chemistry and Physics (see also www.ru.nl/ubn)
• FNWI-medewerkers archive
• QCLDB2 (Quantum Chemistry Literature Database)
• Wikipedia The free encyclopedia
• Character Tables
• More symmetry stuff
• Gaussian basis set library
  • EMSL basis set exchange
  • European mirror
• LIFBASE database and spectral simulation program for diatomic molecules.
• Harvard Smithsonian Astrophysics Lab
• National Institute of Standards, Chemistry webbook
• National Institute of Standards,Physical constants
• NIST atomic spectra database
• Teletekst
• Telefoongids
• Dictionaries

Climate(1.5x,2.5x,3.5?,4†)

• TROPOMI (sattelite data)
• The Discovery of Global Warming (history.aip.org, April 2022)
• Carbon dioxide Mauna Loa, Hawaii (April 2022: 420.23 ppm)
• Skepticalscience.com
• insideclimatenews.org
• Fracking causes massive increase in methane emissions, the guardian April 2022: > 1910 ppb
• 2020 UN emission figures
• Global temperature record.svg
• DOAS tutorial (Bremen)
• envirodatagov.org
• NASA climate scientific consensus
• 19january2017snapshot.epa.gov
• Subsidies

Organisations and foundations

• Horizon2020
• The Guild
• Research professional, funding info
• Netherlands eScience center
• Huygens Scholarships
• www.chemjobs.net (chemistry jobs vacancies)
• SURFsara, filesender
• HPC-EUROPA Transnational access
• FOM (Stichting voor Fundamenteel Onderzoek der Materie).
  • AMOLF (Institute for Atomic and Molecular Physics).
  • Rijnhuizen
• KNAW (Koninklijke Nederlandse Academie van Wetenschappen).
• NWO (Nederlandse Organisatie voor Wetenschappelijk Onderzoek).
  • Funding opportunities
  • NWO Acknowledgement howto
  • NWO open-access
  • CW (Chemische Wetenschappen)
  • NCF (Stichting Nationale Computer Faciliteiten).
• Nederlandse Onderzoeks Databank

Travel

• Carbon offset Gold Standard
• Dollar-Euro exchange rate
• Tripplanner
• Wetter online (radar)
• Radarbeeld.nl
• Buienradar.nl
• www.oanda.com (USD-EURO conversion)
• GWK koerslijsten
• Plan of science buildings Nijmegen
• ANWB routeplanner
• Auto Lease Holland routeplanner, stratengids
• Leaseplan routeplanner
• Yahoo maps (USA/Canada)
• Maps Europe (Michelin)
• Cheaptickets.com
• kayak.com
• orbitz.com
• Vliegtarieven.nl
• vliegtickets.tv (more destinations)
• ATP (vliegtickets)
• NS Reisinfo
• 9292ov.nl OV reisplanner
• Travelocity (flight reservations etc.)
• USA visa waiver program
• ESTA Electronic system for Travel Authorization (USA)
• smoke

Quantum chemistry program packages

• Dirac program
• OpenMoscas
• MRCC ( Mihály Kállay,TU Budapest)
• Libxc
• iRASPA
• MOLPRO
  • Pseudo potentials
• NWCHEM
• Dalton Quantum Chemistry Program
• Columbus
• PSI4 ab initio quantum chemistry package PSI4 lab exercises
• ORCA, input library
• GAMESS-UK
• CADPAC
• Coupled-Cluster tehniques for Computation Chemistry (Stanton, Gauss, Szalay)
• Gaussian basis set library European mirror of Environmental Molecular Sciences Laboratory (EMSL)
• TURBOMOL(Reinhart Ahlrichs)
• Open shell potential energy surfaces (Anna Krylov)
• GAUSSIAN
• Jmol
• Linux, Python, and other tutorials on guru99.com, [Compilers/linkers/loaders]

Quantum dynamics program packages

• ABC code for atom-diatom reactive scattering
• MKMCXX, C++ program for constructing microkinetic models
• vibca.for
• Scientific Computing Department
  • DL_POLY
• PROSPE: Programs for ROtational SPEctroscopy
• Heidelberg MCTDH package
• HIBRIDON (Millard Alexander)
• MOLSCAT (Jeremy Hutson)
• Diatomic Honl-London factor computer program
• Open MM
• Linux4chemistry
• PQS (parallel quantum solutions)
• Wavepacket
• GAP - Groups, Algorithms, Programming
• RKR, Franck-Condon, etc. by Robert J. Le Roy, University of Waterloo
• quantemol (Electron-molecule)
• Fitting Diatomic spectra (Robert J. Le Roy)
• Computational Chemistry Software
• Computer Physics Communications (program library)
• DynaSo, time-dependent dynamics package by Tong Peng, Donghui Zhang, John Zhang.
• gOpenMol (visualisation program by L.Laaksonen) and manual by Scott L. Anderson
• Orient (Anthony Stone, Cambridge, UK)
• QCPE

Other program packages

• craiyon
• NETLIB
• SCILAB (Free alternative for Matlab)
• NIST Guide to Available Mathematical Software
• Engauge-digitizer (extract data from pdf figure)

Conferences

• CCMI 2024 (Vienna)
• DAN II meeting (Leiden, November 28, 2018)
• EUCMOS - European congress on molecular spectroscopy
• 16th Interantional Congress of Quantum Chemistry (June 18-23, 2018, Menton, France)
• Cold and Controlled Molecules (Centro Stefano Franscini in Switzerland)
• International Symposium on Free Radicals
• AMO Lunteren
• Sectie Atoom-, Molecuul-, en Optische fysica, Nederlandse Natuurkundige Vereniging
• ACS meetings
• CECAM Workshops
• Gordon Conferences
• mathematics and computer science conferences
• Royal Society of Chemistry (RSC) conferences
• Faraday discussions
• Telluride
  
  
• International Workshop on Ultrafast Chemical Physics & Physical Chemistry UCP2011 (14-16 December 2011, University of Strathclyde in Glasgow, UK)
• CHAINS 2011 (28-30 November 2011, Maarssen, Netherlands)
• European Conference on Laboratory Astrophysics (Paris, France, September 26-30)
• Joop (Oudega, Friesland, The Netherlands, September 23-24)
• COMET (Oxford, 11-16 Sept, 2011)
• Negative ions and molecules in astrophysics
• Quantum Reactive Scattering (New Mexico, July 17-21, 2011)
• WATOC2011(Santiago de Compostela, Spain, July 17-22, 2011)
• Dynamics of Molecular Collisions Conference 2011 (Snowbird, Utah, 10-15 July, 2011)
• DAMOP 2011 (Atlanta, Georgia, June 13-17)
• The Molecular Universe (Toledo, Spain, May 30 - June 3, 2011)
  
  
• ICOLS Student Workshop 2011 (May 30 - June 3, Hannover
• Workshop Astrochemistry
• Astrochemistry meeting (Eindhoven, 5-7 Jan 2011)
• Intermolecular Interactions: New Challenges for ab initio Theory (Telluride, CO, 9-13 aug 2010)
• Damop 2010(Houston, TX, 25-29 May, 2010)
• 17th Canadian Symposium on Theoretical Chemistry
• Tenth International Conference on Computational Scienc (Amsterdam, May 31 - June 2, 2010)
• Spectroscopy & Theory, Crystallography & Structural Research, Macromolecules, Chemistry of the Solid State & Materials Science, and Liquids & Interfaces (Veldhoven, 15+16 Feb 2010)
• 5-11 sept 2009, BEC2009 Sant Feliu, Spain
• Faraday discussion 142: cold and ultracold molecules
• March 19-23, 2007, DPG conference Duesseldorf
• August 12-17, 2007, 29th International Free Radicals Symposium Big Sky, Montana
• March 19-23, 2007, Spring meeting of the German Physical Society DPG, Duesseldorf, Germany
• November 10-14, 2006, Stereodynamics 2006, Arcachon, France
• October 29 - November 2, 2006, Wilhelm und Else Heraeus Seminar on Cold Molecules, Bad Honnef, Germany
• September 11-15, 2006, MOLEC 2006, Levico Terme (Trento), Italy
• March 5-10, 2006, Achievements and Perspectives of Cold Molecules, Les Houches, France
• October 19-22, 2005, Workshop on Cold Polar Molecules, Ringberg Castle, Bavaria, Germany
• October 16-20, 2005, Ultracold collisions symposium at Laser Science XXI, Tucson, AZ
• July 24-27, 2005, CCP6 Workshop on Vector Correlation and Alignment in Chemistry, Bristol, UK
• July 3-8, 2005, Theory of Ultracold Molecules, Telluride (Colorado), USA
• January 23-26, 2005, International Karlsruhe Nanoscience Workshop, Karlsruhe
• January 9-14, 2005, Gordon Research Conference On Molecular Energy Transfer (GRCOMET)
• November 28 - December 3, 2004, International Symposium on Stereodynamics of Chemical Reactions, Osaka, Japan
• September 5-10, 2004, Molec XV, Nunspeet, The Netherlands
• September 2-5, 2004, Quantum Dynamics at Conical Intersections, Nunspeet, The Netherlands
• August 7-12, 2004, 18th international Symposium on Gas Kinetics
• 11-16 July 2004, GRC on Atomic and Molecular Interactions, program
• 6-10 July 2004, ECAMP VIII European Conference on Atomic and Molecular Physics, PAMO 2004
• March 30 - April 3, 2004, Bose-Einstein Condensation: from atoms to molecules, Durham, UK
• February 15-20, 2004, Theory and applications of computational chemistry, Gyeongju, Korea
• January 8-10, 2004, Ultracold Polar Molecules: Formation and Collisions
• 18-21 Septermber 2003,A Coastal Voyage in Quantum Chemistry, Tromso-Trondheim, Norway
• 8-12 September 2003,HRMS 18th coll on High Resolution Molecular Spectroscopy, Dijon, France
• July 13-18, 2003, Dynamics of Molecular Collisions, Lake Tahoe
• June 16-20, 2003, 58th international symposium on molecular spectroscopy, OHIO State
• June 15-20, 2003, COMET XVIII International Conference on Molecular Energy Transfer, San Lorenzo de El Escorial, SPAIN
• June 20-23, 2003, The VII Workshop on Quantum Reactive Scattering, San Lorenzo de El Escorial, SPAIN
• June 8-13, 2003, XX Symposium on Molecular Beams, Lisboa, Portugal
• March 31-April 2, 2003, CCP1/CCP6/ChemReact workshop

Summer Schools, master programs

• MolSim-2018 (January 8-19, 2018, NL)
• 2018 Joint ICTP-IAEA School and Workshop on Fundamental Methods for Atomic, Molecular and Materials Properties in Plasma Environments (other link)
• Molim training school (Belgrade, 2017)
• Cold atoms, Les Houches (France, 2-13 Oct 2017)
• Virtual Winterschool on computational chemistry
• ASTROCHEMISTRY: FROM SPACE TO EARTH (Grenoble, 29-aug-2016)
• Path Integral Quantum Mechanics (Jun 13-17, 2016, Lausanne, Switzerland)
• Practical Course in Biomolecular Modelling, ACMM
• MSSC2014 - Ab initio Modelling in Solid State Chemistry (London, UK, Sep 15-19, 2014)
• Summer School on Experimental Methodology in Computational Science Research (St Andrews, Scotland, UK, 4-8 Aug 2014)
• Summer School on Molecular Materials (Aug 25-29, 2014, Wuerzburg)
• National Training School in Theoretical Chemistry (Oxford, UK)
• Sostrup Summer School
• 191st Summer Course of the International School of Physics "Enrico Fermi" (Varena, Italy, 7-14 July 2014),
• Ultracold Atoms and Precision Measurements (Les Houches, Sept 15-26, 2014)
• Small-Molecule Spectroscopy and Dynamics (Robert Field, MITopenCOURSEware)
• Psi-k Summer School on Ab Initio Molecular Dynamics for Biomolecules (Santo Stefano di Sessanio, Italy, 9-14 June 2013)
• Rome School on Open Systems and the Quantum-Classical Boundary (April 9-12, 2013, Rome)
• European Summerschool in Quantum Chemistry 2013
• Dead Sea winter school, Excitons
• MolSim 2013 (ACMM, UvA, Jan 7-18, 2013)
• Path-Integral Molecular Dynamics (Toulouse, France, June 4-8, 2012)
• Chemistry and Infrared Spectroscopy of Interstellar Dust (Cuijk, the Netherlands, June 4-8, 2012)
• Nordic-NASA Summer school "Water, ice, and the Origi of Life in the Universe", 2-15 July 2012
• Nanosummerschool (Jacobs University, July 2011)
• International Max-Planck Research School for Ultrafast Imaging and Structural Dynamics (Hamburg)
• European Summerschool in Quantum Chemistry 2011 (Palermo, Sicily, Italy, Sep. 18 - Oct. 1, 2011)
• Summer school on storage devices and ion traps
• European Summer School Energy and Materials from the Sun
• 5th International Intensive course on Theoretical Chemistry and Computational Modelling (TCCM)
• IMM summer schools
• ICONIC
• Shell effects in finite quantum systems
• (bio)molecular dynamics (Finland)
• Modeling Molecules and Nansystems (MoMoNano)
• European master in Theoretical Chemistry and Computational Modelling
• HRSMC - Holland Research School of Molecular Chemistry
• Ultracold Quantum Gases of Atoms and Molecules, (Les Houches, 27 sept - 9 oct 2009)
• Han-sur-Lesse, theoretical chemistry and spectroscopy
• Summer School on Direct Quantum Simulation of Condensed Matter Physics with cold atoms and molecules
• Winter school on theoretical chemistry (2006) (Helsinki, Finland)
• Tulip Graduate School (Noordwijk, Netherlands)
• June 23-28, 2003, second european school on computational chemistry, reaction and molecular dynamics (University of Barcelona, Spain)
• August 15-25, 2001, Summer School in the Quantum Dynamics of Molecular Systems, University College, Oxford, UK

Computer related stuff

• C&CZ
  • Email sieve
  • Video chat, zoom, webex, etc
  • Peage, budget
  • Printers en printen
  • IPSec based vpn
  • EduVPN (VPN
  • SLURM batch queues
    • Batch job: "#SBATCH –gres=heavyio:1
    • squeue -a
  • News
  • dhz.science.ru.nl (set spam filter, password, antivirus settings etc.)
  • Printen posters
  • Intel compilers, ifort, MKL, iMPI, select compiler flags
  • squirrel van de B-faculteiten
  • Cluster nodes load
  • VPN, ssh -D port user@host, Socks proxy,
  • Telefonie
• Adore software declaration
• MathJax, Demo: Copy and paste equations, TeX, Wikipedia, word
• MKL makefile
• MVPS
• Xsede
• Fortran-77 standard
• Rosettacode - algorithms in many languages
• Pathscale compilers open source
• opensuse software, rpms
• www.gigaserver.nl
• High performance computing travel grants
• Convert BibTex to EndNote
• Logon with putty
• F-secure SSH
• www.GeoBytes.com (location of IP address)
• Search engines: www.kartoo.com, Google, www.zoek.nl, Yahoo, www.whowhere.com(search e-mail address).
• Benchmarks: www.SpecBench.org Performance Database Web site

The second quantum revolution

• Qiskit
• cuQuantum (nvidia)
• Kwantumrevolutie (documentary, Dutch, with subtitles)
• NIST, the second quantum revolution
• Quantum computing, Quantum sensing, Quantum communication, Quantum simulation
• Tommaso calarco: builgin the second quantum revoluton
• Quantum/nano-revolutie
• Quantum Delta NL
• National Quantum Technology Agenda
• SURF.NL: Experience quantum computing
• Center for quantum materials and technology Eindhoven
• Quantum Delft - QuTech, TNO, TUDelft, Gemeente Delft
• Superconducting nanowire single photon detector
• Quantum revolution at lowlands

ColdQuanta

Manuals

• Latex
  • LaTeX font guide
  • mhchem - chemical symbols \ce{H2+O2-2H2O}
  • modiagram - drawing orbital diagrams
  • tikzorbital - drawing orbitals
  • tikz - general drawing
  • Covert moldata to chemfig
• jq
• PSTricks
• Hibridon 4.0 manual
• Molpro 2006.1
• Molscat version 14, user manual
• PostScript Reference manual
• www.w3.org (about HTTP & HTML)
  • Handleiding HTML
  • validator.w3.org
  • HTML Home Page
  • HTML 4.01 Reference Specification
  • Character-codes or latin1 XML
• mysql
  • 5.0 Reference manual
  • Mysql howto
• php5

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Back to [ Theoretical Chemistry | IMM | Science Faculty | RU]

Last updated: June 16, 2022, by Gerrit C. Groenenboom, e-mail: gerritg@theochem.ru.nl.