[Python] Read data into array

This article is a follow-up of my previous perl script to manipulate data in a file. After I posted my question on a social website, I've received a lot of people encouraging me to do it in Python. Some advantages of Python over Perl are: easier to maintain, easier for other people to read, and even google programmers use it. And there is claim out there saying that if you know C++,...

[Perl] Read file and store data in arrays

I use c++ to do most of my analysis. Sometimes, I might want to do some small calculations on the results from c++, and it can be executed faster with a script. I've used bash script to get certain information in c++ output files. While bash script might be handy to use, it can only do integer arithmetic. I have two columns of data, in...

Why computer simulations?

Simulations are relatively simple, inexpensive, and everything can be measured in principle. Not to reproduce experimental results (exception: testing the accuracy of potentials) Help to understand experimental results or to propose new experiments Test of theoretical predictions or theories Investigating systems on a level of detail which is not possible in real experiments or analytical...

LAMMPS - A free open-source MD package

LAMMPS stands for "Large-scale Atomic/Molecular Massively Parallel Simulator", which is a molecular dynamics simulation package distributed by National Sandia Lab. LAMMPS incorporate MPI so it could run in parallel or on single processor. The reason that I chose LAMMPS to simulate my ionomers for several reasons: It could run coarse-grained/united-atom...

Contact me

Mail me or stop by at:    115 Fenske Lab    Pennsylvania State University    University Park, PA 16802 Call me at my office:    (814) 863-2879 Or just email me:    kxl281[at]psu.e...

Send attachment using mutt

Update [7/27/2011]: It doesn't work well with file containing texts (i.e. .cpp files). When I send a code or a data file, the file I received in the Attachment folder has texts all messed up. I'm trying to use gnuplot to generate plots when I'm working on the cluster.  While both my laptop and PC at the office are...

Create/Remove shortcuts in Linux

To access a sub-sub-sub-sub-..... folder every time you log on to do your work might be a pain in the ass.  Although combining the first letter of consecutive folder names and 'tab' can make it faster.  If you are accessing the specific folder frequently, there is a way to save the hustle: Symbolic links. Symbolic links are similar to the shortcuts on Windows OS. It creates a link...

Electrolytes in Lithium ion batteries

Lithium ion battery have been widely used in electronic gadgets due to its high energy/power density. Current electrolytes for Li-ion batteries are mostly organic solvents. Although they are good conducting medium for Li ion, the organic solvents are toxic and volatile. Besides, those liquid electrolytes require hard casing and separator...

Molecular dynamics simulation

MD (molecular dynamics) simulation is a computational technique that describes the movement of atoms based on their interactions.The interactions among atoms can be described by empirical potentials (force field) or quantum chemical models, or a mix of the two. The most commonly seen MD in polymer or bio- physics uses force fields, and...

About Me

Hi, my name is Kan-Ju Lin. I am currectly a Ph.D candidate in Chemical Engineering department at Penn State. My advisor, Dr Janna Maranas, leads our group investigating molecular mobility in soft materials. While our group does both experimental and computaional stuides, my research is mainly computational, with insights provided from experimentalists....

Resume

Education Sep. 2007~ Present The Pennsylvania State University, University Park, PA 16801 - Doctoral candidate in Chemical Engineering Sep. 2002~ July 2006 National Tsing Hua University, Hsin-Chu 30013, Taiwan - Bachelor of Science in Chemical Engineering Research/working experience Jan. 2008~ Present Graduate Research Assistant - Penn State Jan. 2011~ May 2011 Sep....