http://www.tcm.phy.cam.ac.uk/~mdt26/science_journals.html
Springer Book Series: Progress in Theoretical Chemistry and Physics
http://www.springerlink.com/content/1567-7354/
Linear-Scaling Techniques in Computational Chemistry and Physics
http://link.springer.com/book/10.1007%2F978-90-481-2853-2
Computational Materials Chemistry
Methods and Applications
LA Curtiss and MS Gordon
http://www.springerlink.com/content/h57262/#section=728087&page=1
Modeling Marvels:
Computational Anticipation of Novel Molecules
N. Lewars
http://www.springerlink.com/content/l2008l
Gaussian Processes for Machine Learning
Carl Edward Rasmussen and Christopher K. I. Williams
The MIT Press, 2006. ISBN 0-262-18253-X
http://www.gaussianprocess.org/gpml/
Density Functional Perturbation Theory
http://link.springer.com/chapter/10.1007/978-3-319-08320-9_3
Computational Chemistry of Complexes of Lanthanides
MOPAC tutorials
Bash Manual
http://tldp.org/LDP/abs/html/index.html
https://ryanstutorials.net/bash-scripting-tutorial/bash-if-statements.php
Encyclopedia of Computational Chemistry
http://onlinelibrary.wiley.com/book/10.1002/0470845015
Electron Scattering
Book Chapter: Atomic Confinement
http://www.springerlink.com/content/h771145771601408/
Some notes in Parameters for Molecular Mechanics
http://www.bmb.uga.edu/wampler/8200/parameters/index.htm
IBM AIX compiler information center
http://publib.boulder.ibm.com/infocenter/comphelp/v7v91/index.jsp
The Universal Digital Library
http://www.ulib.org/index.html
UNIX
http://docstore.mik.ua/orelly/index.html
Mathematica for theoretical physics. Classical mechanics and nonlinear dynamics : Web version
http://dx.doi.org/10.1007/b106777
Abramowitz and Stegun.
Handbook of Mathematical Functions.
http://people.math.sfu.ca/~cbm/aands/page_302.htm
Introduction to High-Performance Scientific Computing
http://tacc-web.austin.utexas.edu/veijkhout/public_html/istc/istc.html
BerkeleyGW tutorials
https://sites.google.com/site/berkeleygw2017/about
Introduction to Object-Oriented Concepts using Fortran90
http://www.cs.rpi.edu/~szymansk/OOF90/F90_Objects.html
Fortran resources
http://www.star.le.ac.uk/~cgp/fortran.htm
Fortran77 IO
Advanced Fortran90
Fortran90 for Fortran77 Programmers
http://www.star.le.ac.uk/~cgp/f90course/f90.html
Mistakes in Fortran 90 Programs That Might Surprise You
http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html
LibToolhttp://www.gnu.org/software/libtool/manual/html_node/index.html#Top
C Preprocessor
https://gcc.gnu.org/onlinedocs/cpp/index.html#Top
Autotools
http://www.linuxselfhelp.com/gnu/automake/html_chapter/automake_9.html
DFT Lectures
http://institute.loni.org/dft2011/schedule.php
What is heap and stack?
Techniques and Applications of Quantum Monte Carlo
http://web.ornl.gov/~pk7/thesis/Thesis.html
Contemporary High Performance Computing: From Petascale toward Exascale
http://books.google.com/books?id=yfs-VMPQKgYC
Chicago Manual of Style
http://www.chicagomanualofstyle.org/home.html
The Feynman Lectures on Physics, Volume I
http://www.feynmanlectures.caltech.edu/I_toc.html
2007 Summer School on Computational Materials Science
Quantum Monte Carlo from Minerals and Materials to Molecules
http://www.mcc.uiuc.edu/summerschool/2007/qmc/
Computational Chemistry (CHEM 4021/8021) Chris Cramer
http://pollux.chem.umn.edu/8021/Lectures/
MOLECULAR MODELING Jay Ponder
http://dasher.wustl.edu/chem478/
Molecular optimization
http://www3.nd.edu/~gezelter/Teaching/650/exercises/discover3/#homework
Introduction to Computer Science and Programming
Public speaking
http://speakermix.com
http://en.wikipedia.org/wiki/Public_speaker
https://www.ted.com/
http://www.cs.berkeley.edu/~jrs/speaking.html
2014 Summer School on Electronic Structure Theory
http://www.ipam.ucla.edu/programs/summer-schools/hands-on-summer-school-electronic-structure-theory-for-materials-and-biomolecules/?tab=schedule
ATPESC Lectures
http://extremecomputingtraining.anl.gov/
Fall 2011 National Meeting & Expo Session List
http://www.softconference.com/ACSchem/slist.asp?C=4608#TID16178
MARVEL
http://slideshot.epfl.ch/events/17
Using the Massively Parallel Quantum Chemistry Program Version 2.2
http://www.mpqc.org/talks/user/text0.html
OpenMP Tutorial
https://computing.llnl.gov/tutorials/openMP/
http://docs.oracle.com/cd/E19059-01/stud.10/819-0501/index.html
OpenMP examples
http://people.sc.fsu.edu/~jburkardt/f_src/openmp/openmp.html
http://openmp.org/wp/resources/
Free book – Optimizing HPC Applications with Intel Cluster Tools
http://www.techenablement.com/free-ebook-optimizing-hpc-applications-intel-cluster-tools/
Hands-on Workshop on Density Functional Theory and Beyond: Computational Materials Science for Real Materials
http://cdsagenda5.ictp.it/full_display.php?ida=a12198
Graduate course on open quantum systems.
A.J. Fisher et al.
http://www.cmmp.ucl.ac.uk/~ajf/course_notes/course_notes.html
Adresses constructeurs et formations PIR (Proche Infra rouge, Infra rouge, Raman)
http://nte-serveur.univ-lyon1.fr/nte/spectroscopie/docspedagogiques.html
Car-Parrinello summer school
http://www.impmc.jussieu.fr/~seitsonen/Science/Presentations/Taiwan-juillet-2005/exercises.html
Quantum chemistry using Quantum-ESPRESSO
http://www.stanford.edu/~hkulik/www/Tutorials/Tutorials.html
Tutorials in GAMESS
http://www.msg.ameslab.gov/tutorials/tutorials.html
Quantum Espresso Manual
http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html
http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/
CP-Quantum Espresso Manual
http://www.quantum-espresso.org/wp-content/uploads/Doc/cp_user_guide/user_guide.html
http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_cp.html
Tutorials in PCGAMESS
http://www.angelfire.com/pro/riturajkalita/PCGAMESS_Inputs.htm
Valgrind Quick Start
http://valgrind.org/docs/manual/quick-start.html
/usr/local/mpich-install/bin/mpirun -np 8 valgrind --tool=callgrind ./tubinarioexecutable parameter_filke.in
Practical machine learning: methods and algorithmics
http://www.cbcb.umd.edu/~hcorrada/PracticalML/
http://statweb.stanford.edu/~tibs/ElemStatLearn/
Machine Learning for Many-Particle Systems - IPAM Workshop Feb 2015
New Opportunities For New Deep Learning Practitioners
http://www.fast.ai/
Cheat Sheets
VIM editor
https://www.cfa.harvard.edu/~jbattat/computer/python/science/idl-numpy.html
Python NumPy
https://www.cfa.harvard.edu/~jbattat/computer/python/science/idl-numpy.html
Python Parallel Processing
https://wiki.python.org/moin/ParallelProcessing
Git Guide
http://rogerdudler.github.io/git-guide/
Resonance Raman Theory
http://www.personal.dundee.ac.uk/~tjdines/Raman/RRTHEORY.HTM
SIMPLIFIED INTRODUCTION TO AB INITIO
BASIS SETS. TERMS AND NOTATION.
http://www.ccl.net/cca/documents/basis-sets/basis.html
Debugging BGP
http://www.alcf.anl.gov/resource-guides/debugging
http://www.yolinux.com/TUTORIALS/GDB-Commands.html
http://stackoverflow.com/questions/329259/how-do-i-debug-an-mpi-program
cartesian-to-internal
http://www.ccl.net/cca/documents/cartesian-to-internal.shtml
Einstein coefficients, cross sections, f values, dipole moments, and all that
http://arxiv.org/abs/physics/0202029v1
Notes In IBM/Q
Portable Hardware Locality (hwloc) Documentation: v1.1
http://www.open-mpi.org/projects/hwloc/doc/v1.1/index.php
Compilers for IBM/Q manual
http://pic.dhe.ibm.com/infocenter/compbg/v121v141/index.jsp
Advanced Scientific Computing
Comparing Solid State DFT Codes, Basis Sets and Potentials
Mike tutorial
http://www.tcm.phy.cam.ac.uk/~mdt26/tmo/page18.html
GCM-HERC webinar on networking http://www.hercjobs.org/jobseeker_tools/webinars/http://vimeo.com/33371649
Engel's web page Normconserving Pseudopotentials
http://th.physik.uni-frankfurt.de/~engel/ncpp.html
Hartree-Fock equations
http://www.theoretical-physics.net/dev/index.html
Modeling materials using density functional theory
http://kitchingroup.cheme.cmu.edu/dft-book/dft.html
Dissertations form Dirac program
http://dirac.chem.sdu.dk/thesis/index.shtml
Federal Office of Research Integrity
http://ori.hhs.gov/general-resources-0
Grammar resources
http://writing-program.uchicago.edu/resources/grammar.htm
Verb Tense Tutorial
http://www.englishpage.com/verbpage/verbtenseintro.html
Sentence Types
https://owl.english.purdue.edu/owl/resource/573/02/
Verb Tense Quiz
http://a4esl.org/q/h/vm/verbtense.html
*If you have access to this resources within your network... then, good for you... please don't ask me for copies.