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'''Next group meeting: Thursday 30 July 2026 at 15:30 in U203'''
''
<br>
# _________ # ___ ___ # ______ # ___ __ __ #
[[Group Meetings|View the group meeting schedule]]
#/________/\ #/__/\ /__/\ #/_____/\ #/__//_//_/\ #
#\__.::.__\/ #\::\ \\ \ \ #\:::_ \ \ #\::\| \| \ \ #
# \::\ \ # \::\/_\ .\ \ # \:\ \ \ \ # \:. \ \ #
# \::\ \ # \:: ___::\ \ # \:\ \ \ \ # \:.\-/\ \ \ #
# \::\ \ # \: \ \\::\ \# \:\_\ \ \ # \. \ \ \ \#
# \__\/ # \__\/ \::\/# \_____\/ # \__\/ \__\/#
# # # # #
''
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''
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# _______ # ______ # ______ # __ __ # ______ #

#/______/\ #/_____/\ #/_____/\ #/_/\/_/\ #/_____/\ #
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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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Hello, Guten Abend, and Bienvenue to the new Thom Group Wiki. (Apparently evenings are good times to read the Wiki.)
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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>
</div>


</div>
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.


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=Group Calendar=
https://calendar.google.com/calendar/render?mode=day&date=20160601T153539#main_7%7Cday-1+23745+23745+23745


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=Group Meetings=
== About ==
</div>


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.
Past Group Meetings [[Past Group Meetings|here]]. Group Meetings take place every other Monday at 3.30pm.


</div>
===Easter 2023===

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=== [[Group_List | Group List and Photos]] ===
</div>

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.

</div>

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=== [[Summer_Interns | Summer Interns]] ===
</div>

Email [theory-sec@ch.cam.ac.uk](mailto: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.

</div>

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

The Group Expectations document is available on [https://www.overleaf.com/read/yddfjrvpjckj Overleaf] as above. The rules outlined must be obeyed at all costs, if not, the consequences are dire.

</div>

</div>

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=== Roles ===
</div>


Currently allocated Group Roles are
{| class="wikitable"
{| class="wikitable"
! style="width: 20ex;" |'''Date''' || style="width: 18ex;" | '''Talk''' || style="width: 18ex;" | '''Cake'''
! style="width: 20ex;" | Role
! style="width: 18ex;" | Name
! style="width: 18ex;" | From
|-
|-
|1st May || Chiara || Andreea
| Webmaster || Lila ||
|-
|-
|15th May || Lila || Kripa
| Social Media Master || Lila ||
|-
|-
| Quantum Computing Discussion Group Lead || Lila ||
|26th May || Yi Sun || Jack
|-
|-
|12th June || Daniel ||
| Group Meeting Convener || Bence ||
|-
| Group IT Rep || Bence ||
|-
| Group Social Sec || Tamara ||
|}
|}


</div>
=Journal Club=

12pm in the cybercafe with pizza provided (alternative possible).
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== Events ==
</div>

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

</div>

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=== [https://calendar.google.com/calendar/render?mode=day&date=20160601T153539#main_7%7Cday-1+23745+23745+23745 Group Calendar] ===
</div>

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.

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{{Special:IframePage}}
</div>

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=== [[Past Group Meetings|Group Meetings]] ===
</div>

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).

</div>

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=== Journal Club ===
</div>

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]].

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=== Seminars ===
</div>

* [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]

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=== QCQCDG ===
</div>

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].

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=== Quantum Computing Brainstorm ===
</div>

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

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

</div>

</div>

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=== Forthcoming Conferences ===
</div>


Past Journal Clubs [[Journal Clubs|here]].
===2022-23===
{| class="wikitable"
{| class="wikitable"
! style="width: 20ex;" |'''Date''' || style="width: 18ex;" | '''Contributor''' || style="width: 54ex;" | '''Paper'''
! style="width: 20ex;" | Dates
! style="width: 18ex;" | Name
! style="width: 18ex;" | Where
! style="width: 18ex;" | Attending?
|-
|-
| 31st May - 6th Jun 2026 || [https://www.icqc2026.org/ International Congress of Quantum Chemistry] || Berkeley, California || Andreea
| 5 Oct 2022 || Chiara || [https://www.nature.com/articles/s41586-021-04160-4 Quantum theory based on real numbers can be experimentally falsified]
|-
|-
| 7th Sep - 11tb Sep 2026 || [https://copl.ethz.ch/events/origins-federation-conference.html Origins Federation] || Zurich, Switzerland || Alex, Bence
| 2 Nov 2022 || Daniel || [https://www.nature.com/articles/s41467-022-31036-6 The role of references and the elusive nature of the chemical bond]
|-
|-
| 28 Nov 2022 || Andreea || [https://arxiv.org/pdf/2211.10824.pdf Hybrid Auxiliary Field Quantum Monte Carlo for Molecular Systems]
| 13th Sep - 18th Sep 2026 || [https://qce.quantum.ieee.org/2026/ IEEE Quantum Week] || Toronto, Canada || Lila
|-
| 8 Feb 2023 || Lila || [https://www.nature.com/articles/s41534-021-00493-0 Gate-free state preparation for fast variational quantum eigensolver simulations]
|-
| 17 May 2023 || Daniel || [https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.116.028103 Bumblebee Flight in Heavy Turbulence]
|}

=Summer 'Interns'=
{| class="wikitable"
! style="width: 40ex;" |'''Name''' || style="width: 50ex;" | '''Project''' || style="width: 24ex;" | '''Machine'''
|-
|-
| 14th Sep - 16th Sep 2026 || [https://www.rsc.org/events/find-an-event/molecular-excited-states-theory-and-experiment-faraday-discussion Excited States Faraday Discussion] || Cambridge, UK|| Alex
| Theo Hatcher || Excited States and RevQCMagic ||
|-
|-
| 15th Sep - 18th Sep 2026 || [https://www.girton.cam.ac.uk/events/foundations-quantum-technologies Foundations of Quantum Technologies] || Girton College, Cambridge, UK ||
| Bence Csakany || Quantum Computing on GPUs and FPGAs ||
|-
|-
| 19th Sep - 23rd Sep 2026 || [https://www.mes2026.com/ Molecular Electronic Structure 2026] || Kamena Vourla, Greece || Dylan, Alex
| Miriam Al-Hadithi || LCLU Astrochemistry ||
|-
| 9th Jan - 14th Jan 2028 || [https://watoc2028.org/ World Association of Theoretical and Computational Chemists 2028]|| Mérida, México ||
|-
| 27th May - 1st Jun 2029|| ICQC 2029|| Qingdao, China||
|}
|}


</div>
Past Summer Interns [[Past Summer Interns|here]].

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=== Forthcoming Workshops and Schools ===
</div>


=Summer Dates=
{| class="wikitable"
{| class="wikitable"
! style="width: 20ex;" | Dates
! Name
! style="width: 18ex;" | Name
! 3rd July
! style="width: 18ex;" | Where
! 10th July
! style="width: 18ex;" | Attending?
! 17th July
! 24th July
! 31st July
! 7th August
! 14th August
! 21st August
! 28th August
! 4th September
! 11th September
! 18th September
! 25th September
|-
| Alex || London IChO || || Zurich IChO || Zurich until Tuesday || || || || || || || LJC meeting || || ||
|-
|-
| 1st July - 3rd July 2026 || [https://ccp-qc.ac.uk/ws_mb/ Tackling the Many-Body Problem in Condensed Matter with Quantum Computing] || University of Strathclyde, Glasgow || Lila
| Theo || || || ||Starts Monday || || || || || || || || Finishes Friday ||
|-
|-
| 28th Sep - 2nd Oct 2026 || Lennard-Jones Centre Summer School || Cambridge, UK||
| Bence || || Starts Wednesday || || || || || || || || Finishes Tuesday || || ||
|-
|-
| 14th Sep - 18th Sep 2026 || [https://www.quantinuum.com/inquanto-summer-school Inquanto Summer School] || Cambridge, UK||
| Miriam || || Starts Wednesday (or Monday?)|| || || || || || || Finishes Friday || || || ||
|}
|}


</div>
=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/Group%20Meetings/Forms/AllItems.aspx Group Meeting Presentations]


<div style="
= [[Group_List | Group List]] =
margin:1.4em 0 0.8em;
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/old-ifs-thom/cbh31/groupwiki`
padding:0.45em 1.1em 0.7em;
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<div style="margin:-0.55em 0 -0.15em;">
An up to date list of group members is also available [http://www.ch.cam.ac.uk/group/thom here].
== Research and Projects ==
This section contains current research projects, uncurated project ideas and questions, a standard format for documenting projects, and records of completed work.
</div>


</div>
[[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]]


<div style="display:flex; flex-wrap:wrap; gap:1em; align-items:stretch;">
[[File:GroupPhotoJul2022.jpg|1000px|thumb|center|Thom Group photo Summer 2022]]


<div style="
[[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]]
flex:1 1 300px;
<div style="text-align: center;">
box-sizing:border-box;
Front row, left to right: Anna Bui, Brian Zhao, Bang C. Huynh, Arta Safari, Maria-Andreea Filip<br>
padding:0.65em 1em 0.8em;
Back row, right to left: David Izuogu, Kripa Panchagnula, Zian Wang, Dr Alex Thom<br>
background:#fff8f5;
Not in picture: Fabio Albertani, Nicholas Lee, Tarik Benyahia, César Feniou, Benjamin Mokhtar
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=== [[Templated_Projects | Templated Projects ]] ===
</div>
</div>


Projects detailed as according to a template.


</div>
[[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]]


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= [[Computer_and_Storage_List | Computing Resources]] =
flex:1 1 300px;
- Group computers available.
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<div style="margin:-0.55em 0 -0.1em;">
- Clusters available.
=== [[Project_Ideas | Project Ideas and Questions]] ===
</div>


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


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


<div style="
mv ~/.conda /scratch/$USER/.conda
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ln -s /scratch/$USER/.conda ~/.conda
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<div style="margin:-0.55em 0 -0.1em;">
= [[Introduction | Introduction to basic shell commands]] =
=== [[Project_Template | Project Template ]] ===
- There are a number of tutorials available which document basic operations that are useful including:
</div>


The aforementioned template.
# 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


</div>
Currently undergoing construction.


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= How to connect to department machines =
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<div style="margin:-0.55em 0 -0.1em;">
===On Mac/WSL===
=== Dissertations (Completed Projects) ===
</div>


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


* [https://universityofcambridgecloud.sharepoint.com/sites/CHEM_ThomGroup/Dissertations/Forms/AllItems.aspx Dissertations] - Part III Reports, MPhil Theses, First Year Reports, PhD Theses
Set up logging in without a password:
* [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]


</div>
# 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


</div>


<div style="
Press escape, then input '':wq'' followed by enter to exit the editor.
margin:1.4em 0 0.8em;
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.
padding:0.45em 1.1em 0.7em;
background:linear-gradient(135deg,#ecfdf5,#f3f7fa);
border-left:6px solid #2a9d8f;
border-radius:9px;
">


<div style="margin:-0.55em 0 -0.15em;">
== Computers ==
</div>


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


</div>
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


<div style="display:flex; flex-wrap:wrap; gap:1em; align-items:stretch;">
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.


<div style="
====Windows====
flex:1 1 300px;
box-sizing:border-box;
padding:0.65em 1em 0.8em;
background:#f1faf8;
border:1px solid #a9d8ce;
border-top:5px solid #2a9d8f;
border-radius:9px;
">


<div style="margin:-0.55em 0 -0.1em;">
I recommend the WinSCP software. You can download it from [https://winscp.net/eng/download.php here].
=== [[Computer_and_Storage_List | Computing Resources]] ===
Once installed, click ''New Session'', and choose ''SFTP'' protocol with :
</div>
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 !


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


</div>


<div style="
====Mac/Linux====
flex:1 1 300px;
box-sizing:border-box;
padding:0.65em 1em 0.8em;
background:#f3f7fa;
border:1px solid #b5c9d5;
border-top:5px solid #457b9d;
border-radius:9px;
">


<div style="margin:-0.55em 0 -0.1em;">
You can download FileZilla for [https://filezilla-project.org/download.php?platform=osx MacOS] or [https://filezilla-project.org/download.php?platform=linux64 linux].
=== [[Introduction | Introduction to basic shell commands]] ===
The problem is that FileZilla does not support tunnel ssh. To open the connection, you need to use a ssh client like puTTY.
</div>
On MacOS please follow [https://phoenixnap.com/kb/install-putty-on-mac this guide].


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.
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 :


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


<div style="
in the ''session'' tab :
flex:1 1 300px;
Host Name = citadel.ch.cam.ac.uk
box-sizing:border-box;
port = 22
padding:0.65em 1em 0.8em;
connection type = SSH
background:#f5f3ff;
Enter a name for this connection in the ''saved sessions'' entry, and click ''Save''.
border:1px solid #c9bce0;
border-top:5px solid #6a4c93;
border-radius:9px;
">


<div style="margin:-0.55em 0 -0.1em;">
Now click ''Open''.
=== [[Connecting_Machines | How to connect to department machines]] ===
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).
</div>


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


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


<div style="
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 !
flex:1 1 300px;
box-sizing:border-box;
padding:0.65em 1em 0.8em;
background:#faf5ff;
border:1px solid #d8c2e8;
border-top:5px solid #8338ec;
border-radius:9px;
">


<div style="margin:-0.55em 0 -0.1em;">
=== Using VSCode Remote ===
=== [[Transferring_files_between_computers | Transferring files between computers ]] ===
====Windows====
</div>
# 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)


You might want to do this sometimes.
# <li value="4">In VSCode, set your ssh config file manually to your 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


</div>
= Useful Software =

# Using [[QChem]]
<div style="
# Using [[QCMagic]]
flex:1 1 300px;
box-sizing:border-box;
padding:0.65em 1em 0.8em;
background:#fff5f5;
border:1px solid #f4a7a7;
border-top:5px solid #d62828;
border-radius:9px;
">

<div style="margin:-0.55em 0 -0.1em;">
=== Software Tutorials ===
</div>

# [[QChem]]
# [[SimpleDMC]]
# [[SimpleDMC]]
# [[MRCC]]
# [[MRCC]]
# [[GAMESS]]
# [[GAMESS]]
# [[RevQCMagic]]

= Useful Information =
# 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]]
# 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]]
# [[Getting Started with cerebro]]
# [[Getting Started with cerebro]]
# [[Things to do before leaving]]
# [[The Ten Git-mmandments]]: what NOT to do


</div>
= [[Archiving_data | Archiving data for the university repository]] =


</div>
= [[Website_to_do | To-do list for the Thom Group Website]] =


<div style="
= [[Group_activities | Group Activities]] =
margin:1.4em 0 0.8em;
padding:0.45em 1.1em 0.7em;
background:linear-gradient(135deg,#fff7ed,#fffbed);
border-left:6px solid #f77f00;
border-radius:9px;
">


<div style="margin:-0.55em 0 -0.15em;">
= To-do list for the Wiki=
== Working in the Group ==
Practical information for group members, including conference travel funding, tasks to complete before leaving, and booking meeting rooms.
</div>


</div>
- A pretty picture


<div style="display:flex; flex-wrap:wrap; gap:1em; align-items:stretch;">
- A "How to:" page on setting up cygwin, ssh keys and general bash commands what are helpful


<div style="
- A "How to:" page on using qchem
flex:1 1 300px;
box-sizing:border-box;
padding:0.65em 1em 0.8em;
background:#fff8f5;
border:1px solid #f3c3a5;
border-top:5px solid #f77f00;
border-radius:9px;
">


<div style="margin:-0.55em 0 -0.1em;">
- A Pretty picture for the $wgLogo
=== Where to get [[Travel Money]] ===
Possible sources of funding for conference travel, including the Department, colleges, funding bodies etc.
</div>

</div>

<div style="
flex:1 1 300px;
box-sizing:border-box;
padding:0.65em 1em 0.8em;
background:#fffbed;
border:1px solid #ead99a;
border-top:5px solid #fcbf49;
border-radius:9px;
">

<div style="margin:-0.55em 0 -0.1em;">
=== [[Things to do before leaving]] ===
A checklist of tasks to complete before leaving the group.
</div>

</div>

<div style="
flex:1 1 300px;
box-sizing:border-box;
padding:0.65em 1em 0.8em;
background:#f1faf8;
border:1px solid #a9d8ce;
border-top:5px solid #2a9d8f;
border-radius:9px;
">

<div style="margin:-0.55em 0 -0.1em;">
=== [https://roombookingsystem.cam.ac.uk/Account/Login?ReturnUrl=%2F Link to book meeting pods] ===
Use the room-booking system to reserve meeting pods and other meeting rooms.
</div>

</div>

</div>

<div style="
margin:1.4em 0 0.8em;
padding:0.45em 1.1em 0.7em;
background:linear-gradient(135deg,#f1faf8,#ecfdf5);
border-left:6px solid #2a9d8f;
border-radius:9px;
">

<div style="margin:-0.55em 0 -0.15em;">
== Research Practice ==
Guidance on reviewing and merging code, avoiding common Git mistakes, and preparing research data for publication and archiving.
</div>

</div>

<div style="display:flex; flex-wrap:wrap; gap:1em; align-items:stretch;">

<div style="
flex:1 1 300px;
box-sizing:border-box;
padding:0.65em 1em 0.8em;
background:#f1faf8;
border:1px solid #a9d8ce;
border-top:5px solid #2a9d8f;
border-radius:9px;
">

<div style="margin:-0.55em 0 -0.1em;">
=== Guidelines on [[Code Review]] ===
Guidance on development branches, requesting and responding to reviews, merging reviewed work, and testing changes before they enter the main branch.
</div>

</div>

<div style="
flex:1 1 300px;
box-sizing:border-box;
padding:0.65em 1em 0.8em;
background:#f3f7fa;
border:1px solid #b5c9d5;
border-top:5px solid #457b9d;
border-radius:9px;
">

<div style="margin:-0.55em 0 -0.1em;">
=== [[The Ten Git-mmandments]] ===
</div>

What NOT to do.

</div>

<div style="
flex:1 1 300px;
box-sizing:border-box;
padding:0.65em 1em 0.8em;
background:#f5f3ff;
border:1px solid #c9bce0;
border-top:5px solid #6a4c93;
border-radius:9px;
">

<div style="margin:-0.55em 0 -0.1em;">
=== [[Archiving_data | Archiving data for the university repository]] ===
</div>

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

</div>

</div>

<div style="
margin:1.4em 0 0.8em;
padding:0.45em 1.1em 0.7em;
background:linear-gradient(135deg,#f5f3ff,#faf5ff);
border-left:6px solid #6a4c93;
border-radius:9px;
">

<div style="margin:-0.55em 0 -0.15em;">
== Learning Resources ==
Lecture series of useful topics.
</div>

</div>

<div style="display:flex; flex-wrap:wrap; gap:1em; align-items:stretch;">

<div style="
flex:1 1 470px;
box-sizing:border-box;
padding:0.65em 1em 0.8em;
background:#f5f3ff;
border:1px solid #c9bce0;
border-top:5px solid #6a4c93;
border-radius:9px;
">

<div style="margin:-0.55em 0 -0.1em;">
=== Mathematical Physics Lectures by Frederic Schuller ===
</div>

# [https://www.youtube.com/playlist?list=PLPH7f_7ZlzxTi6kS4vCmv4ZKm9u8g5yic Geometrical Anatomy of Theoretical Physics]
# [https://www.youtube.com/playlist?list=PLPH7f_7ZlzxQVx5jRjbfRGEzWY_upS5K6 Lectures on Quantum Theory]

</div>

<div style="
flex:1 1 470px;
box-sizing:border-box;
padding:0.65em 1em 0.8em;
background:#faf5ff;
border:1px solid #d8c2e8;
border-top:5px solid #8338ec;
border-radius:9px;
">

<div style="margin:-0.55em 0 -0.1em;">
=== Mathematical Physics Lectures by Carl Bender ===
</div>

# [https://www.youtube.com/playlist?list=PL43B1963F261E6E47 Perturbation and Asymptotic Series]

</div>

</div>

<div style="
margin:1.4em 0 0.8em;
padding:0.45em 1.1em 0.7em;
background:linear-gradient(135deg,#faf5ff,#fff5f5);
border-left:6px solid #8338ec;
border-radius:9px;
">

<div style="margin:-0.55em 0 -0.15em;">
== Wiki Maintenance ==
Pages for identifying parts of the website or wiki that require improvement.
</div>

</div>

<div style="display:flex; flex-wrap:wrap; gap:1em; align-items:stretch; margin-bottom:1.5em;">

<div style="
flex:1 1 300px;
box-sizing:border-box;
padding:0.65em 1em 0.8em;
background:#f3f7fa;
border:1px solid #b5c9d5;
border-top:5px solid #457b9d;
border-radius:9px;
">

<div style="margin:-0.55em 0 -0.1em;">
=== [[Website_to_do | To-do]] ===
</div>

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

</div>

<div style="
flex:1 1 470px;
box-sizing:border-box;
padding:0.65em 1em 0.8em;
background:#faf5ff;
border:1px solid #d8c2e8;
border-top:5px solid #8338ec;
border-radius:9px;
">

<div style="margin:-0.55em 0 -0.1em;">
=== [[Special:LonelyPages | Unlinked Pages]] ===
</div>

All pages not currently linked to are listed here. These should either be deleted, repurposed, or archived with nicely organised section titles.

</div>

</div>

<div style="
margin:1.4em 0 0.8em;
padding:0.45em 1.1em 0.7em;
background:linear-gradient(135deg,#f5f3ff,#faf5ff);
border-left:6px solid #6a4c93;
border-radius:9px;
">

<div style="margin:-0.55em 0 -0.15em;">
== Archive ==
</div>

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

</div>

<div style="display:flex; flex-wrap:wrap; gap:0.7em; margin-bottom:1.5em;">

<div style="
flex:1 1 220px;
box-sizing:border-box;
padding:0.45em 0.8em 0.6em;
background:#fff5f5;
border:1px solid #f4a7a7;
border-top:5px solid #d62828;
border-radius:8px;
text-align:center;
">

<div style="margin:-0.55em 0 -0.1em;">
=== [[Group_activities | Group Activities]] ===
</div>

</div>

<div style="
flex:1 1 220px;
box-sizing:border-box;
padding:0.45em 0.8em 0.6em;
background:#fff8f5;
border:1px solid #f3c3a5;
border-top:5px solid #f77f00;
border-radius:8px;
text-align:center;
">

<div style="margin:-0.55em 0 -0.1em;">
=== [[Darwin | Darwin]] ===
</div>

</div>

<div style="
flex:1 1 220px;
box-sizing:border-box;
padding:0.45em 0.8em 0.6em;
background:#f1faf8;
border:1px solid #a9d8ce;
border-top:5px solid #2a9d8f;
border-radius:8px;
text-align:center;
">

<div style="margin:-0.55em 0 -0.1em;">
=== [[Queuing | Queuing]] ===
</div>

</div>

<div style="
flex:1 1 220px;
box-sizing:border-box;
padding:0.45em 0.8em 0.6em;
background:#f3f7fa;
border:1px solid #b5c9d5;
border-top:5px solid #457b9d;
border-radius:8px;
text-align:center;
">

<div style="margin:-0.55em 0 -0.1em;">
=== [[QCMagic_(Legacy) | QCMagic (Legacy) ]] ===
</div>

</div>

<div style="
flex:1 1 220px;
box-sizing:border-box;
padding:0.45em 0.8em 0.6em;
background:#f5f3ff;
border:1px solid #c9bce0;
border-top:5px solid #6a4c93;
border-radius:8px;
text-align:center;
">

<div style="margin:-0.55em 0 -0.1em;">
=== [[Slow_ubuntu_dash | Slow ubuntu dash]] ===
</div>

</div>

<div style="
flex:1 1 220px;
box-sizing:border-box;
padding:0.45em 0.8em 0.6em;
background:#faf5ff;
border:1px solid #d8c2e8;
border-top:5px solid #8338ec;
border-radius:8px;
text-align:center;
">

<div style="margin:-0.55em 0 -0.1em;">
=== [[Tyche | Tyche]] ===
</div>

</div>

</div>

</div>

Latest revision as of 11:17, 24 July 2026

Next group meeting: Thursday 30 July 2026 at 15:30 in U203
View the group meeting schedule 


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

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

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.

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.

Email [theory-sec@ch.cam.ac.uk](mailto: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.

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

Roles

Currently allocated Group Roles are

Role Name From
Webmaster Lila
Social Media Master Lila
Quantum Computing Discussion Group Lead Lila
Group Meeting Convener Bence
Group IT Rep Bence
Group Social Sec Tamara

Events

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

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 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).

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.

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.

Forthcoming Conferences

Dates Name Where Attending?
31st May - 6th Jun 2026 International Congress of Quantum Chemistry Berkeley, California Andreea
7th Sep - 11tb Sep 2026 Origins Federation Zurich, Switzerland Alex, Bence
13th Sep - 18th Sep 2026 IEEE Quantum Week Toronto, Canada Lila
14th Sep - 16th Sep 2026 Excited States Faraday Discussion Cambridge, UK Alex
15th Sep - 18th Sep 2026 Foundations of Quantum Technologies Girton College, Cambridge, UK
19th Sep - 23rd Sep 2026 Molecular Electronic Structure 2026 Kamena Vourla, Greece Dylan, Alex
9th Jan - 14th Jan 2028 World Association of Theoretical and Computational Chemists 2028 Mérida, México
27th May - 1st Jun 2029 ICQC 2029 Qingdao, China

Forthcoming Workshops and Schools

Dates Name Where Attending?
1st July - 3rd July 2026 Tackling the Many-Body Problem in Condensed Matter with Quantum Computing University of Strathclyde, Glasgow Lila
28th Sep - 2nd Oct 2026 Lennard-Jones Centre Summer School Cambridge, UK
14th Sep - 18th Sep 2026 Inquanto Summer School Cambridge, UK

Research and Projects

This section contains current research projects, uncurated project ideas and questions, a standard format for documenting projects, and records of completed work.

Projects detailed as according to a template.

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

The aforementioned template.

Dissertations (Completed Projects)

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.

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

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.

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

You might want to do this sometimes.

Software Tutorials

  1. QChem
  2. SimpleDMC
  3. MRCC
  4. GAMESS
  5. RevQCMagic
  6. How to do things relating to HANDE
  7. How to run PySCF or other Python software on Archer
  8. Persistent X sessions for remote working
  9. Getting Started with cerebro

Working in the Group

Practical information for group members, including conference travel funding, tasks to complete before leaving, and booking meeting rooms.

Where to get Travel Money

Possible sources of funding for conference travel, including the Department, colleges, funding bodies etc.

Things to do before leaving

A checklist of tasks to complete before leaving the group.

Link to book meeting pods

Use the room-booking system to reserve meeting pods and other meeting rooms.

Research Practice

Guidance on reviewing and merging code, avoiding common Git mistakes, and preparing research data for publication and archiving.

Guidelines on Code Review

Guidance on development branches, requesting and responding to reviews, merging reviewed work, and testing changes before they enter the main branch.

What NOT to do.

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

Learning Resources

Lecture series of useful topics.

Mathematical Physics Lectures by Frederic Schuller

  1. Geometrical Anatomy of Theoretical Physics
  2. Lectures on Quantum Theory

Mathematical Physics Lectures by Carl Bender

  1. Perturbation and Asymptotic Series

Wiki Maintenance

Pages for identifying parts of the website or wiki that require improvement.

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

All pages not currently linked to are listed here. These should either be deleted, repurposed, or archived with nicely organised section titles.

Archive

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

Retrieved from "http://wikis.ch.cam.ac.uk/thom/wiki/index.php?title=Main_Page&oldid=1648"