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howto:ipi [2021/04/16 13:59] jglanhowto:ipi [2021/04/16 14:08] jglan
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-Please cite the following paper if you use I-PI with CP2K+Please cite [[https://www.sciencedirect.com/science/article/abs/pii/S0010465518303436|Computer Physics Communications 236 (2019) 214–223]] and [[https://aip.scitation.org/doi/10.1063/1.4941091|J. Chem. Phys. 144, 054111 (2016)]] if you use I-PI with CP2K.
  
-1. [[https://www.sciencedirect.com/science/article/abs/pii/S0010465518303436|i-PI 2.0A universal force engine for advanced molecular simulations]]+Published work using I-PI with CP2K
  
-2. [[https://aip.scitation.org/doi/10.1063/1.4941091|Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary timeUsing density functional theory to accelerate wavefunction methods]]+[[https://pubs.acs.org/doi/10.1021/acs.jpclett.0c01025|J. Phys. Chem. Lett. 2020, 11, 9, 3724–3730]] 
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 +[[https://www.pnas.org/content/116/4/1110.short | PNAS 01, 22, 2019 116 (4) 1110-1115 ]] 
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 +[[https://www.nature.com/articles/s41467-021-20914-0 | Nature Communications 12, 766 (2021) ]]
  
 ===== Download i-PI from Github ===== ===== Download i-PI from Github =====
howto/ipi.txt · Last modified: 2024/01/03 13:08 by oschuett