my books
- Irawan, DE. and Puradimaja, DJ., 2015, Hidrogeologi Umum, Penerbit Ombak.
- Irawan, DE. and Rachmi, CN., 2016, Menulis (ilmiah) itu menyenangkan, Penerbit ITB.
- Gio, PU. and Irawan, DE., 2016, Belajar Statistik dengan R, Penerbit USU.
Dasapta Erwin Irawan
April 12, 2016
R was started as S
Cran task view
definition Wikipedia/computational chemistry:
Computational chemistry is a branch of chemistry
that uses computer simulation to assist in solving
chemical problems. It uses methods of theoretical
chemistry, incorporated into efficient computer
programs, to calculate the structures and properties of
molecules and solids.from ACS
...Computational chemists' daily work influences
our understanding of the way the world works,
helps manufacturers design more productive and efficient
processes, characterizes new compounds and materials, and
helps other researchers extract useful knowledge from
mountains of data.... Many computational chemists develop and apply
computer codes and algorithms, although practicing
computational chemists can have rewarding careers
without working on code development.
Programming skills include compiling FORTRAN or C code,
performing shell scripting with bash, Tcl/Tk, python, or perl,
performing statistical analysis using *R* or SPSS, and
working within a Windows, MacOS, or Linux environment...built upon:
- math
- chemistry
- computer science (as tools)you will do a lot of:
- clustering/classification
- correlation
- prediction
- simulation and modeling
- visualisationR helps you to do part of those taskscsv, txt.reading data
object <- read.csv("datafile.csv")running a function
object <- function(arguments)#rstats in your tweets