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# _________ # ___ ___ # ______ # ___ __ __ #
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#/________/\ #/__/\ /__/\ #/_____/\ #/__//_//_/\ #
<span style="color:#d62828;"> _________ ___ ___ ______ ___ __ __ </span>
#\__.::.__\/ #\::\ \\ \ \ #\:::_ \ \ #\::\| \| \ \ #
# \::\ \ # \::\/_\ .\ \ # \:\ \ \ \ # \:. \ \ #
<span style="color:#f77f00;">/________/\ /__/\ /__/\ /_____/\ /__//_//_/\ </span>
# \::\ \ # \:: ___::\ \ # \:\ \ \ \ # \:.\-/\ \ \ #
<span style="color:#fcbf49;">\__.::.__\/ \::\ \\ \ \ \:::_ \ \ \::\| \| \ \ </span>
# \::\ \ # \: \ \\::\ \# \:\_\ \ \ # \. \ \ \ \#
<span style="color:#2a9d8f;"> \::\ \ \::\/_\ .\ \ \:\ \ \ \ \:. \ \ </span>
# \__\/ # \__\/ \::\/# \_____\/ # \__\/ \__\/#
<span style="color:#457b9d;"> \::\ \ \:: ___::\ \ \:\ \ \ \ \:.\-/\ \ \ </span>
# # # # #
<span style="color:#6a4c93;"> \::\ \ \: \ \\::\ \ \:\_\ \ \ \. \ \ \ \ </span>
<span style="color:#8338ec;"> \__\/ \__\/ \::\/ \_____\/ \__\/ \__\/ </span>
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''
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# _______ # ______ # ______ # __ __ # ______ #
#/______/\ #/_____/\ #/_____/\ #/_/\/_/\ #/_____/\ #
<span style="color:#ff0000;"> _______ ______ ______ __ __ ______ </span>
#\::::__\/__ #\:::_ \ \ #\:::_ \ \ #\:\ \:\ \ #\:::_ \ \ #
<span style="color:#ff7f00;">/______/\ /_____/\ /_____/\ /_/\/_/\ /_____/\ </span>
# \:\ /____/\ # \:(_) ) )_ # \:\ \ \ \ # \:\ \:\ \ # \:(_) \ \ #
<span style="color:#ffff00;">\::::__\/__ \:::_ \ \ \:::_ \ \ \:\ \:\ \ \:::_ \ \ </span>
# \:\\_ _\/ # \: __ `\ \ # \:\ \ \ \ # \:\ \:\ \ # \: ___\/ #
<span style="color:#00cc00;"> \:\ /____/\ \:(_) ) )_ \:\ \ \ \ \:\ \:\ \ \:(_) \ \ </span>
# \:\_\ \ \ # \ \ `\ \ \ # \:\_\ \ \ # \:\_\:\ \ # \ \ \ #
<span style="color:#0099ff;"> \:\\_ _\/ \: __ `\ \ \:\ \ \ \ \:\ \:\ \ \: ___\/ </span>
# \_____\/ # \_\/ \_\/ # \_____\/ # \_____\/ # \_\/ #
<span style="color:#4b0082;"> \:\_\ \ \ \ \ `\ \ \ \:\_\ \ \ \:\_\:\ \ \ \ \ </span>
# # # # # #
<span style="color:#8b00ff;"> \_____\/ \_\/ \_\/ \_____\/ \_____\/ \_\/ </span>
</pre>
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</div>
Hello, Guten Abend, and Bienvenue to the new Thom Group Wiki. (Apparently evenings are good times to read the Wiki.)


=About=
In this Wiki you can find various pieces of useful information, such as when group meetings are, who is going to bring cake, how to run a particular calculation or perform a certain computer trick, who's using which computer in the group, and so on. You can also see how fun we are as a group by looking at our various photos.


Hello, Guten Abend, and Bienvenue to the new Thom Group Wiki (apparently evenings are good times to read the Wiki). In this Wiki you can find various pieces of useful information, such as when group meetings are, who is going to bring cake, how to run a particular calculation or perform a certain computer trick, who's using which computer in the group, and so on. You can also see how fun we are as a group by looking at our various photos. For members of the group please feel free to edit the contents of the wiki and fix any errors that you are bound to spot.
=Group Calendar=
https://calendar.google.com/calendar/render?mode=day&date=20160601T153539#main_7%7Cday-1+23745+23745+23745


== [[Group_List | Group List and Photos]] ==
{{Special:IframePage}}


Here you can find photos of the group in various locations. There is also a helpful Gantt chart illustrating the storied group history. The chart should ideally be updated termly, the current chart maintainer is Luke Wright and you should email him with any complaints.
=Group Expectations=


== [[Summer_Interns | Summer Interns]] ==
The Group Expectations document is available on overleaf https://www.overleaf.com/read/yddfjrvpjckj


Email theory-sec@ch.cam.ac.uk for summer internship opportunities in the group. You are welcome to suggest ideas for a project you would like to do, but ideas are also available for assignment.


==[https://www.overleaf.com/read/yddfjrvpjckj Group Expectations]==


The Group Expectations document is available on Overleaf above. The rules outlined must be obeyed at all costs, if not, the consequences are dire.
=Group Meetings=


=Events=
Past Group Meetings [[Past Group Meetings|here]]. Group Meetings (usually) take place every other <s>Monday</s> <s>Friday</s> Thursday at <s>3.30pm</s> 2pm.


This section contains information and dates about all regularly or spontaneously scheduled academic events.


==[https://calendar.google.com/calendar/render?mode=day&date=20160601T153539#main_7%7Cday-1+23745+23745+23745 Group Calendar]==
===Easter 2024===
The group calendar is available at the link above. For maximum group efficiency you should add this calendar to your personal calendar. Instructions for how to do this are pending if I can be bothered to write them.


{{Special:IframePage}}

==[[Past Group Meetings|Group Meetings]]==

Group Meetings take place every Thursday at 15.30 in U203. For anyone who needs to book a room for group meetings (or otherwise), follow this link [https://bookings.ch.cam.ac.uk/lecture-theatres/mrbs/ here] to see room availability. The current term's group meetings are available below, so that you need not click the above link (which contains past group meetings).

===Easter 2026===
{| class="wikitable"
{| class="wikitable"
! style="width: 20ex;" |'''Date''' || style="width: 18ex;" | '''Talk''' || style="width: 18ex;" | '''Cake'''
! style="width: 20ex;" | Date
! style="width: 18ex;" | Talk
! style="width: 18ex;" | Cake
|-
|-
|25th April || Jack || Alex
| 30 April || Luke + Corey + Katrina || Luke
|-
|-
|9th May || Chiara || Jack
| 7 May || Informal ||
|-
|-
|23th May || Lijun || Lijun
| 14 May || Reka ||
|-
|-
|6th June || Lila || Kripa
| 21 May || Informal ||
|}

=Journal Club=
12pm in the cybercafe with pizza provided (alternative possible).

Past Journal Clubs [[Journal Clubs|here]].
===2023-24===
{| class="wikitable"
! style="width: 20ex;" |'''Date''' || style="width: 18ex;" | '''Contributor''' || style="width: 54ex;" | '''Paper'''
|-
|-
| 28 May || MPhil ||
| 1 Nov 2023 || Lila || [https://www.nature.com/articles/s41586-023-06306-y Solid-body trajectoids shaped to roll along desired pathways]
|-
|-
| 4 June || Informal ||
| 29 Nov 2023 || Kripa || [https://arxiv.org/abs/2006.01855 Aligning Superhuman AI with Human Behavior: Chess as a Model System]
|-
|-
| 11 June || Dylan ||
| 13 Feb 2024 || Bence || [https://arxiv.org/pdf/2203.16580 What’s for Lunch? A systematic ordering of foods in the Soup-Salad-Sandwich phase space]
|-
|-
| 18 June || Informal ||
| 12 Mar 2024 || Alex || [https://iopscience.iop.org/article/10.3847/2041-8213/acf577/pdf Carbon-bearing Molecules in a Possible Hycean Atmosphere]
|}
|}


==Journal Club==
=Quantum Computing Resources=
Journal Club occurs about twice a term, it usually occurs at 12pm in one of the Cybercafe rooms (U202 or U203) pizza or alternatives are provided. Upcoming and Past Journal Clubs are found [[Journal Clubs|here]].
==Quantum Club==
Quantum Computing for Quantum Chemistry Discussion Group (QCQCDG) info available at https://www.ch.cam.ac.uk/group/thom/quantum-computing-quantum-chemistry-discussion-group .


==Seminars==
==Quantum Brainstorm==

Informal quantum discussions taking place at 10am on Tuesdays in the supervision area.
* [https://www.lclu.cam.ac.uk/events/coffee-meetings Leverhulme Centre for Life in the Universe Coffee Meetings]
* [https://lists.cam.ac.uk/sympa/subscribe/phy-cavendish-quantum-info?previous_action=info Quantum Information Seminars]

==QCQCDG==
Quantum Computing for Quantum Chemistry Discussion Group (QCQCDG) info available [https://www.ch.cam.ac.uk/group/thom/quantum-computing-quantum-chemistry-discussion-group here].

==Quantum Computing Brainstorm==
From Easter 2026, informal quantum discussions taking place at 10am on Thursdays in the supervision area.
Notes available [[Quantum Brainstorm|here]].
Notes available [[Quantum Brainstorm|here]].


==Quantum computing Open Questions==
Outstanding questions, along with answers and helpful reading material, can be found [[Open Questions|here]].
Outstanding questions, along with answers and helpful reading material, can be found [[Open Questions|here]].


= Research and Projects =
=Summer 'Interns'=


== [[Project_Ideas | Project Ideas]] ==
Based on recent talks and conferences. Contains both project ideas and more general questions that would be nice to answer.


== Dissertations ==
Past Summer Interns [[Past Summer Interns|here]].
Please upload any missing documents to these folders such that these contain a complete history of every project or work completed in the group.


=Dissertations=
* [https://universityofcambridgecloud.sharepoint.com/sites/CHEM_ThomGroup/Dissertations/Forms/AllItems.aspx Dissertations] - Part III Reports, MPhil Theses, First Year Reports, PhD Theses
* [https://universityofcambridgecloud.sharepoint.com/sites/CHEM_ThomGroup/Dissertations/Forms/AllItems.aspx Dissertations] - Part III Reports, MPhil Theses, First Year Reports, PhD Theses
* [https://universityofcambridgecloud.sharepoint.com/sites/CHEM_ThomGroup/Group%20Meetings/Forms/AllItems.aspx Group Meeting Presentations]
* [https://universityofcambridgecloud.sharepoint.com/sites/CHEM_ThomGroup/Group%20Meetings/Forms/AllItems.aspx Group Meeting Presentations]
* [https://www.overleaf.com/read/ffdvzskxvnbm#2e9673 Template for L<sup>A</sup>T<sub>E</sub>X poster]


= Computers =
= [[Group_List | Group List]] =
The full timeline of all current and past group members is available [https://wikis.ch.cam.ac.uk/thom/wiki/index.php/Group_List here]. NB autogenerated by `thom-fs-common/group/groupwiki`


This section contains all information you could ever need about computers and how to use them.
An up to date list of group members is also available [http://www.ch.cam.ac.uk/group/thom here].


== [[Computer_and_Storage_List | Computing Resources]] ==
[[File:Wales.jpg|1000px|thumb|center|Thom Group Retreat, Wales, Lent 2023]]
[[File:Snowdon0.jpeg|1000px|thumb|center|Thom Group Retreat, Snowdon, Lent 2023]]
[[File:Snowdon1.jpeg|1000px|thumb|center|Thom Group Retreat, Snowdon, Lent 2023]]


See this section for what computers the group members are using, what compute clusters are available, and where you can store files.
[[File:GroupPhotoJul2022.jpg|1000px|thumb|center|Thom Group photo Summer 2022]]


== [[Introduction | Introduction to basic shell commands]] ==
[[File:AJWT_group_8_21_taken_by_Nathan Pitt_©University_of_Cambridge_1274_M.jpg|1000px|thumb|center|Thom Group photo - taken by Nathan Pitt, ©University of Cambridge, August 2021]]
There are a number of tutorials available which document basic operations that are useful. Some highlights include setting up SSH keys, X-forwarding, or how to use vim. Click the hyperlink for the full list.
<div style="text-align: center;">
Front row, left to right: Anna Bui, Brian Zhao, Bang C. Huynh, Arta Safari, Maria-Andreea Filip<br>
Back row, right to left: David Izuogu, Kripa Panchagnula, Zian Wang, Dr Alex Thom<br>
Not in picture: Fabio Albertani, Nicholas Lee, Tarik Benyahia, César Feniou, Benjamin Mokhtar
</div>


== [[Connecting_Machines | How to connect to department machines]] ==


It can be useful often to connect to computers in department remotely. Please keep your work-life balance in mind.
[[File:AJWT_group_photo_2_5_19-4926_taken_by_Nathan_Pitt_University_of_Cambridge-tighter.jpg|500px|thumb|center|Thom Group photo - taken by Nathan Pitt, ©University of Cambridge, May 2019]]
[[File:AJWT_Group_photo-5470_taken_by_Nathan_Pitt_University_of_Cambridge.jpg|500px|thumb|center|Thom Group photo - taken by Nathan Pitt, ©University of Cambridge, November 2017]]


== [[Installing_Slack | How to install Slack on department machines ]] ==
= [[Computer_and_Storage_List | Computing Resources]] =
- Group computers available.


Group communication is done primarily through Slack, it may be useful to install it. Alternatively we could begin using pigeon-mail or smoke signals.
- Clusters available.


== Software Tutorials==
- Storage available.
# [[QChem]]
# [[SimpleDMC]]
# [[MRCC]]
# [[GAMESS]]
# [[RevQCMagic]]


= Uncategorisable =
= Computing Setup Guide =
Anaconda takes up a lot of space on /home so it's worth running


The following sections could not be given a heading in the great wiki organisation of 2026 and thus are labelled as uncategorisable. See [https://en.wikipedia.org/wiki/Russell%27s_paradox Russell's paradox] for more details.
mv ~/.conda /scratch/$USER/.conda
ln -s /scratch/$USER/.conda ~/.conda


== Useful Information ==
= [[Introduction | Introduction to basic shell commands]] =
- There are a number of tutorials available which document basic operations that are useful including:


Here are some things that were deemed as useful once upon a time. Please add to the list.
# General bash commands
# Setting up cygwin
# Setting up [https://git-scm.com/book/en/v2/Git-on-the-Server-Generating-Your-SSH-Public-Key ssh keys] and general bash commands what are helpful
# Setting up ssh config files
# using [[GIT]]
# [[The Ten Git-mmandments]]
# Useful cerebro queue commands
# Some [[vim]] tidbits

Currently undergoing construction.

= How to connect to department machines =

===On Mac/WSL===

# Check you have an Admitto account and collect your password from https://www.ch.cam.ac.uk/computing/admitto-service
# In the terminal run the command ''ssh -X crsid@citadel.ch.cam.ac.uk''
# When prompted input your Admitto username (crsid) and password
# Once this has worked run the command ''ssh -X crsid@machinename'' in the terminal to log into a particular machine

Set up logging in without a password:

# Generate an ssh key by running the command ''ssh-keygen'' in the terminal, as described in detail in the section "Introduction to basic shell commands"
# Use ''cd ~/.ssh'' to navigate to the directory holding the keys, and copy the text from the file "id_rsa.pub" beginning with ssh-rsa. This is your public ssh key
# Log into the department citadel machine, and create / navigate to a directory called .ssh
# Use ''chmod 700 .ssh'' to set permissions for the directory
# Input ''vi authorized_keys'' to open up the vi text editor. Press i, then paste in your public ssh key. Press escape, then type '':wq'' and press enter to write and quit the editor
# Log into the particular machine you want to ssh to, and repeat steps 3 to 5
# Exit back to your machine and navigate to the home directory
# Input ''vi .ssh/config'' to open the vi text editor. Press i, then paste in the following, with your crsid and machine name in the places given:
Host citadel
User crsid
Hostname citadel.ch.cam.ac.uk
ForwardAgent yes
ProxyCommand none
Host machinename
Hostname machinename
ProxyCommand ssh citadel -W %h:%p
User crsid
ForwardAgent yes
ServerAliveInterval 60
ServerAliveCountMax 10


Press escape, then input '':wq'' followed by enter to exit the editor.
You can now log straight into citadel with ''ssh citadel'' or straight into your machine with ''ssh machinename''. The last two commands stop the ssh being killed if you are idle for too long. The ''ServerAliveInterval'' is how many seconds to ping a null packet, and the ''ServerAliveCountMax'' are how many consecutive times it needs to fail for the ssh to be killed.


===File Transfer Protocol===

You may want to transfer files between department machines and your computer. The standard way is to ''scp'' via the terminal with commands :
UPLOAD :
scp -o ProxyCommand="ssh crsid@citadel.ch.cam.ac.uk nc machinename 22" LocalPath/FileName crsid@machinename.ch.cam.ac.uk:/RemotePath
DOWNLOAD :
scp -o ProxyCommand="ssh crsid@citadel.ch.cam.ac.uk nc machinename 22" crsid@machinename.ch.cam.ac.uk:/RemotePath/FileName LocalPath

However, a more convenient way is to set up a File Transfer Protocol (FTP) between machines. It can come with a graphic user interface, where you can drag and drop files from the department machine to your computer.

====Windows====

I recommend the WinSCP software. You can download it from [https://winscp.net/eng/download.php here].
Once installed, click ''New Session'', and choose ''SFTP'' protocol with :
Hostname = machinename
Port number = 22
Username = crsid
Leave 'Password' entry empty.
Then click on ''Advanced...'', ''Tunnel'' tab, check the ''Connect through SSH tunnel'' tickbox and enter:
Hostname = citadel.ch.cam.ac.uk
Port number = 22
Username = crsid
Leave 'Password' entry empty.
Click ''OK'' and click ''Save'', and finally ''Login''. Enter your admitto password twice.
You can now navigate in the directories of the remote machine on the right tab, and of your local computer on the left tab, and you can transfer files between the two with a drag and drop. Enjoy !



====Mac/Linux====

You can download FileZilla for [https://filezilla-project.org/download.php?platform=osx MacOS] or [https://filezilla-project.org/download.php?platform=linux64 linux].
The problem is that FileZilla does not support tunnel ssh. To open the connection, you need to use a ssh client like puTTY.
On MacOS please follow [https://phoenixnap.com/kb/install-putty-on-mac this guide].

On Linux you can do :
sudo apt-get install -y putty
Open it by typing ''putty'' on the terminal. The interface should open.
Type the following entries :

in the ''SSH/Tunnels'' tab :
Source Port = 3111
Destination = machinename:22
local
auto
and click ''Add''. (source port can be any number > 1024)

in the ''session'' tab :
Host Name = citadel.ch.cam.ac.uk
port = 22
connection type = SSH
Enter a name for this connection in the ''saved sessions'' entry, and click ''Save''.

Now click ''Open''.
A terminal should open, type your crsid and your admitto password, you're now logged into Citadel (it's normal that it's not your machine).

Now open FileZilla, and enter :
Host = sftp://localhost
username = crsid
password = admitto password
port = 3111
and click ''Quickconnect''. (port needs to be the same as source port in puTTY).

A window will open (Unknown host key), click ''OK''. Hopefully the connection is successful.

You can now navigate in the directories of the remote machine on the right tab, and of your local computer on the left tab, and you can transfer files between the two with a drag and drop. Enjoy !

=== Using VSCode Remote ===
====Windows====
# Find your wsl ssh config file as a Windows path, for example ''''\\wsl.localhost\Ubuntu\home\<name>\.ssh\config'''''
# Make sure you have the 'Remote SSH' extension installed in VSCode
# In your config file, instead of using the layout above, change it to
Host citadel
User <crsid>
Hostname citadel.ch.cam.ac.uk
ForwardAgent yes
ProxyCommand none
Host <machinename>
Hostname <machinename>
ProxyJump citadel
User <crsid>
ServerAliveInterval 60
ServerAliveCountMax 10
(this has removed the ForwardAgent and ProxyCommand lines and replaced with ProxyJump instead)

# <li value="4">In VSCode, set your ssh config file manually to your path. Your wsl ssh folder can be copied into a Windows path (C:\Users\<user>\<blah>)if VSCode is not happy with the wsl path.</li>
# At the bottom left, the green arrows is where you will be able to connect to remote machines. Click on it, and it should recognise all the hosts in your config file
# Select your host, and you will need to enter your password twice
===Installing Slack on department machines ===
====Ubuntu====
# Download "Slack.deb" from:
https://slack.com/intl/en-gb/downloads/linux
# <li value="2"> Make a directory and run dpkg replacing the with the appropriate file name.
mkdir /scratch/<b>crsid</b>/slack
dpkg -x Slack.deb /scratch/<b>crsid</b>/slack
# <li value="3"> Install the desktop shortcut by pasting the following text into '''~/.local/share/applications/slack.desktop'''
[Desktop Entry]
Type=Application
Exec=/home/<b>crsid</b>/scratch/slack/usr/lib/slack/slack %U
Icon=/home/<b>crsid</b>/scratch/slack/usr/share/pixmaps/slack.png
Name=Slack
Terminal=false
StartupWMClass=Slack
Comment=Slack Desktop
GenericName=Slack Client for Linux
StartupNotify=true
Categories=GNOME;GTK;Network;InstantMessaging;
MimeType=x-scheme-handler/slack;
# <li value="4"> Log out then in and it should show up in the search bar (Windows button). Right click to pin to favorites (task bar)
Make sure you've replaced "crsid" with your crsid.

= Useful Software =
# Using [[QChem]]
# Using [[QCMagic]]
# [[SimpleDMC]]
# [[MRCC]]
# [[GAMESS]]


= Useful Information =
# Guidelines on [[Code Review]]
# Guidelines on [[Code Review]]
# How to do things relating to [[HANDE]]
# How to do things relating to [[HANDE]]
# How to run PySCF or other [[Python software on Archer]]
# How to run PySCF or other [[Python software on Archer]]
# How to run QChem on [[darwin]]
# Where to get [[Travel Money]]
# Where to get [[Travel Money]]
# Backed-up [[Storage]]
# [[How to get IQMol to run a local version of Q-Chem via SSH]]
# [[Slow ubuntu dash]]
# [[Persistent X]] sessions for remote working
# [[Persistent X]] sessions for remote working
# [[Paper submission]]
# [[Paper submission]]
Line 316: Line 153:
# Mathematical Physics Lectures by Carl Bender: [https://www.youtube.com/playlist?list=PL43B1963F261E6E47 Perturbation and Asymptotic Series]
# Mathematical Physics Lectures by Carl Bender: [https://www.youtube.com/playlist?list=PL43B1963F261E6E47 Perturbation and Asymptotic Series]


= [[Archiving_data | Archiving data for the university repository]] =
== [[Archiving_data | Archiving data for the university repository]] ==

= [[Website_to_do | To-do list for the Thom Group Website]] =

= [[Group_activities | Group Activities]] =


For publications data must be archived in accordance with university policy, instructions are here.
= To-do list for the Wiki=


== [[Website_to_do | To-do list for the Thom Group Website]] ==
- Sandbox for safe editing : [[Sandbox| Sandbox]]


If there are desired wiki changes but the will to implement is not there they can be written here.
- A pretty picture


= Archive =
- A "How to:" page on setting up cygwin, ssh keys and general bash commands what are helpful


Anything not updated for more than 5 years should be put into this section.
- A "How to:" page on using qchem


== [[Group_activities | Group Activities]] ==
- A Pretty picture for the $wgLogo

Latest revision as of 16:43, 31 March 2026

 _________   ___   ___      ______       ___ __ __      
/________/\ /__/\ /__/\    /_____/\     /__//_//_/\     
\__.::.__\/ \::\ \\  \ \   \:::_ \ \    \::\| \| \ \    
   \::\ \    \::\/_\ .\ \   \:\ \ \ \    \:.      \ \   
    \::\ \    \:: ___::\ \   \:\ \ \ \    \:.\-/\  \ \  
     \::\ \    \: \ \\::\ \   \:\_\ \ \    \. \  \  \ \ 
      \__\/     \__\/ \::\/    \_____\/     \__\/ \__\/ 

 _______      ______        ______       __  __       ______     
/______/\    /_____/\      /_____/\     /_/\/_/\     /_____/\    
\::::__\/__  \:::_ \ \     \:::_ \ \    \:\ \:\ \    \:::_ \ \   
 \:\ /____/\  \:(_) ) )_    \:\ \ \ \    \:\ \:\ \    \:(_) \ \  
  \:\\_  _\/   \: __ `\ \    \:\ \ \ \    \:\ \:\ \    \: ___\/  
   \:\_\ \ \    \ \ `\ \ \    \:\_\ \ \    \:\_\:\ \    \ \ \    
    \_____\/     \_\/ \_\/     \_____\/     \_____\/     \_\/

About

Hello, Guten Abend, and Bienvenue to the new Thom Group Wiki (apparently evenings are good times to read the Wiki). In this Wiki you can find various pieces of useful information, such as when group meetings are, who is going to bring cake, how to run a particular calculation or perform a certain computer trick, who's using which computer in the group, and so on. You can also see how fun we are as a group by looking at our various photos. For members of the group please feel free to edit the contents of the wiki and fix any errors that you are bound to spot.

Group List and Photos

Here you can find photos of the group in various locations. There is also a helpful Gantt chart illustrating the storied group history. The chart should ideally be updated termly, the current chart maintainer is Luke Wright and you should email him with any complaints.

Summer Interns

Email theory-sec@ch.cam.ac.uk for summer internship opportunities in the group. You are welcome to suggest ideas for a project you would like to do, but ideas are also available for assignment.

Group Expectations

The Group Expectations document is available on Overleaf above. The rules outlined must be obeyed at all costs, if not, the consequences are dire.

Events

This section contains information and dates about all regularly or spontaneously scheduled academic events.

Group Calendar

The group calendar is available at the link above. For maximum group efficiency you should add this calendar to your personal calendar. Instructions for how to do this are pending if I can be bothered to write them.

Group Meetings

Group Meetings take place every Thursday at 15.30 in U203. For anyone who needs to book a room for group meetings (or otherwise), follow this link here to see room availability. The current term's group meetings are available below, so that you need not click the above link (which contains past group meetings).

Easter 2026

Date Talk Cake
30 April Luke + Corey + Katrina Luke
7 May Informal
14 May Reka
21 May Informal
28 May MPhil
4 June Informal
11 June Dylan
18 June Informal

Journal Club

Journal Club occurs about twice a term, it usually occurs at 12pm in one of the Cybercafe rooms (U202 or U203) pizza or alternatives are provided. Upcoming and Past Journal Clubs are found here.

Seminars

QCQCDG

Quantum Computing for Quantum Chemistry Discussion Group (QCQCDG) info available here.

Quantum Computing Brainstorm

From Easter 2026, informal quantum discussions taking place at 10am on Thursdays in the supervision area. Notes available here.

Outstanding questions, along with answers and helpful reading material, can be found here.

Research and Projects

Project Ideas

Based on recent talks and conferences. Contains both project ideas and more general questions that would be nice to answer.

Dissertations

Please upload any missing documents to these folders such that these contain a complete history of every project or work completed in the group.

Computers

This section contains all information you could ever need about computers and how to use them.

Computing Resources

See this section for what computers the group members are using, what compute clusters are available, and where you can store files.

Introduction to basic shell commands

There are a number of tutorials available which document basic operations that are useful. Some highlights include setting up SSH keys, X-forwarding, or how to use vim. Click the hyperlink for the full list.

How to connect to department machines

It can be useful often to connect to computers in department remotely. Please keep your work-life balance in mind.

How to install Slack on department machines

Group communication is done primarily through Slack, it may be useful to install it. Alternatively we could begin using pigeon-mail or smoke signals.

Software Tutorials

  1. QChem
  2. SimpleDMC
  3. MRCC
  4. GAMESS
  5. RevQCMagic

Uncategorisable

The following sections could not be given a heading in the great wiki organisation of 2026 and thus are labelled as uncategorisable. See Russell's paradox for more details.

Useful Information

Here are some things that were deemed as useful once upon a time. Please add to the list.

  1. Guidelines on Code Review
  2. How to do things relating to HANDE
  3. How to run PySCF or other Python software on Archer
  4. Where to get Travel Money
  5. Persistent X sessions for remote working
  6. Paper submission
  7. Getting Started with cerebro
  8. Things to do before leaving
  9. The Ten Git-mmandments: what NOT to do
  10. Mathematical Physics Lectures by Frederic Schuller: Geometrical Anatomy of Theoretical Physics and Lectures on Quantum Theory
  11. Mathematical Physics Lectures by Carl Bender: Perturbation and Asymptotic Series

Archiving data for the university repository

For publications data must be archived in accordance with university policy, instructions are here.

To-do list for the Thom Group Website

If there are desired wiki changes but the will to implement is not there they can be written here.

Archive

Anything not updated for more than 5 years should be put into this section.

Group Activities

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