CMSP IN PERSON Seminar (Atomistic Simulation Seminar Series) 18 Oct, 2:00p.m. CET, Dr Zhi Li

[CMSP Seminars Secretariat]

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CMSP Seminar (Atomistic Simulation Seminar Series)
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** * * Tuesday**, 18 October 2022, 2:00p.m.**CET* * **
/*IN PERSON: Oppenheimer room*
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/Zoom registration link: 
https://zoom.us/meeting/register/tJwld-2rqzktGtXbbwDgacC8XYMDa2LKilL-/**

Speaker: *Zhi Li *(ICTP)

Title: *Deep-learning interatomic potential with the DeePMD package

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Abstract:

In this tutorial, I will briefly introduce the theoretical background of 
the DeePMD package and its practical use. Prior knowledge of machine 
learning is not required. At the end of this tutorial, you will obtain a 
working knowledge of how to construct a deep-learning potential with the 
DeePMD package. The tutorial is divided into two parts. The first part 
is dedicated to the theoretical background of DeePMD, while the second 
explains the key parameters in the manual. In DeePMD, fortunately, a 
high-quality potential does not depend too much on the neural network 
structure, like the number of neurons in each hidden layer. The tedious 
theoretical part will also be interspersed with several practical 
examples from my research to make it more accessible. If time allows, I 
will show how to use the DeePMD C++ interface to compute the vibrational 
spectrum with lattice dynamics for a system with 16800 atoms.

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CMSP Seminars support:OnlineCMSP at ictp.it  

CMSP, Condensed Matter & Statistical Physics Section
http://www.ictp.it/research/cmsp.aspx

The Abdus Salam International Centre for Theoretical Physics
https://www.ictp.it/

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CMSP, Condensed Matter & Statistical Physics Section
http://www.ictp.it/research/cmsp.aspx

The Abdus Salam International Centre for Theoretical Physics
https://www.ictp.it/

CMSP Seminars support:OnlineCMSP at ictp.it  
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