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For Beginners :: Problems & Solutions in Molecular Simulations in Mechanics and Physics ( with Matlab Code & LAMMPS Script)

Dibakar Datta's picture

 
FOR BEGINNERS :::::  I have uploaded Problems & Solutions in Molecular Simulations in Mechanics and Physics ( with Matlab Code & LAMMPS Script) .

CLICK HERE TO DOWNLOAD 

I have also added a short note on Atomic Stress Computation

Regards,

Dibakar Datta

Brown University 

Email ::  dibakar_datta@brown.edu


 

PS :::: For the KMC code for 'Langmuir Adsorption' problem, you may get error messgae :: site (x_coord, y_coord) = 0 . If so, please contact me. I will send the modified (but not the condensed) version of the code .

 

Comments

Pu Zhang's picture

Hi, Dibakar

I feel this file is really helpful since most books do not provide examples and codes for MC or KMC simulation. Thanks a lot.

Pu 

Dibakar da,

                   thank you for the upload and files. It will really help a lot of people like me.

 

Thanks,

Atul

rrahman's picture

Thanks a lot Dibakar. 

 Rezwan

enamul101b's picture

Thank you so much for uploading this.

Jiang Chen's picture

This code is very helpful. I mark this blog for my further research! Thank you! 

Dibakar Datta's picture

I have  added a short note on Atomic Stress Computation

Regards,
Dibakar Datta 

PhD Candidate ; Major : Solid Mechanics

Shenoy Research Group

BROWN UNIVERSITY
Providence 02912 , USA

Thanks for your share, Dibakar.  Could you please mail the full book to me? Thanks. My email:  6twhan@tongji.edu.cn

I could not download "Problems & Solutions :: Molecular Simulations in Mechanics and Physics" file. Could you check it or could you tell me how to download this material?

Suresh

 

Dibakar Datta's picture

Email me at dibakar_datta[AT]brown.edu. I will send the files. 

find your book "Problems & Solutions in Molecular Simulations in Mechanics and Physics" very useful, but I can not download it from the link you provided.Could you please send me a pdf version of this book? 

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