Electrodes/constant potential tutorial

doc/tutorials/CMakeLists.txt

@@ -114,6 +114,7 @@ add_subdirectory(visualization)
 add_subdirectory(ferrofluid)
 add_subdirectory(constant_pH)
 add_subdirectory(widom_insertion)
+add_subdirectory(electrodes)
 
 configure_file(Readme.md ${CMAKE_CURRENT_BINARY_DIR} COPYONLY)
 configure_file(convert.py ${CMAKE_CURRENT_BINARY_DIR})

doc/tutorials/electrodes/CMakeLists.txt

@@ -0,0 +1,26 @@
+#
+# Copyright (C) 2020-2022 The ESPResSo project
+#
+# This file is part of ESPResSo.
+#
+# ESPResSo is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+#
+# ESPResSo is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with this program.  If not, see <http://www.gnu.org/licenses/>.
+#
+
+configure_tutorial_target(TARGET tutorial_electrodes DEPENDS
+                          electrodes_part1.ipynb electrodes_part2.ipynb)
+
+nb_export(TARGET tutorial_electrodes SUFFIX "1" FILE "electrodes_part1.ipynb"
+          HTML_RUN)
+nb_export(TARGET tutorial_electrodes SUFFIX "2" FILE "electrodes_part2.ipynb"
+          HTML_RUN)

doc/tutorials/electrodes/NotesForTutor.md

@@ -0,0 +1,32 @@
+# Simulations of electrodes in ESPResSO
+
+## Physics learning goals
+
+### Part 1
+
+* Give a short recap about image charges, dielectric media, ...
+* Nano-confinement can exhibit a broad variety of interesting effects that can
+  be studied with computer simulations!
+* Electrostatics in nano-confinement: concept of a Green's function
+* Discrete image charges: ICC\*
+
+### Part 2
+
+* Nano-confined charged liquids as super-capacitors
+* Advanced Poisson-Boltzmann theory: Gouy-Chapman, Graham equation
+* Limits of PB: finite ion size, correlations, ...
+* Coarse-grained view: Surface charge density via ELC-IC
+* How to apply a potential difference in the simulation.
+
+After the tutorial, students should be able to:
+
+* Explain how ESPResSo implements 2D periodic electrostatics.
+* What are the limitations of the mean-field PB description.
+* How to evaluate the differential capacitance from simulations.
+* The basic idea of super-ionic states.
+
+## ESPResSo learning goals
+
+* Setting up ELC, ICC and ELC-IC simulations
+* Why is choosing the ELC-gap a crucial parameter?
+* Setting up observables and accumulators for the density profiles.