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--- howto:ipi [2021/04/16 13:59] – jglan
+++ howto:ipi [2021/04/16 14:09] – jglan
@@ Line 8: / Line 8: @@
-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.
-. [[https://www.sciencedirect.com/science/article/abs/pii/S0010465518303436|i-PI 2.0: A universal force engine for advanced molecular simulations]]
+Published work using I-PI with CP2K:
-. [[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 time: Using 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]]
+[[https://www.pnas.org/content/116/4/1110.short | PNAS 01, 22, 2019 116 (4) 1110-1115 ]]
+[[https://www.nature.com/articles/s41467-021-20914-0 | Nature Communications 12, 766 (2021) ]]
 ===== Download i-PI from Github =====
@@ Line 87: / Line 91: @@
 </code>
-===== Run I-PI with CP2K in a supercomputer =====
+===== Run I-PI with CP2K on a supercomputer =====
 To run I-PI with CP2K on a supercomputer is also straightforward, one needs to get the hostname where the i-PI is executed, and then replace this variable in the CP2K input files. Here is an example script one can use to run I-PI with CP2K on the Daint machine (CSCS).