Open Questions

2023-10-30T11:34:25Z

Cnl29:

Open Questions

2023-10-30T10:37:57Z

Cnl29: /* "Quantum devices can efficiently represent complex probability distributions, which are classically intractable to simulate." What is meant by this? */

Open Questions

2023-10-30T10:37:32Z

Cnl29: Created page with "==="Quantum devices can efficiently represent complex probability distributions, which are classically intractable to simulate." What is meant by this?=== Possible useful link..."

==="Quantum devices can efficiently represent complex probability distributions, which are classically intractable to simulate." What is meant by this?===
Possible useful links:
* https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.117.080501
* https://www.nature.com/articles/s41567-018-0124-x
* https://www.nature.com/articles/s41567-018-0318-2

Main Page

2023-10-30T10:28:34Z

Cnl29:

<div style="text-align: center;">
''
# _________ # ___ ___ # ______ # ___ __ __ #
#/________/\ #/__/\ /__/\ #/_____/\ #/__//_//_/\ #
#\__.::.__\/ #\::\ \\ \ \ #\:::_ \ \ #\::\| \| \ \ #
# \::\ \ # \::\/_\ .\ \ # \:\ \ \ \ # \:. \ \ #
# \::\ \ # \:: ___::\ \ # \:\ \ \ \ # \:.\-/\ \ \ #
# \::\ \ # \: \ \\::\ \# \:\_\ \ \ # \. \ \ \ \#
# \__\/ # \__\/ \::\/# \_____\/ # \__\/ \__\/#
# # # # #
''
</div>
<div style="text-align: center;">
''
# _______ # ______ # ______ # __ __ # ______ #
#/______/\ #/_____/\ #/_____/\ #/_/\/_/\ #/_____/\ #
#\::::__\/__ #\:::_ \ \ #\:::_ \ \ #\:\ \:\ \ #\:::_ \ \ #
# \:\ /____/\ # \:(_) ) )_ # \:\ \ \ \ # \:\ \:\ \ # \:(_) \ \ #
# \:\\_ _\/ # \: __ `\ \ # \:\ \ \ \ # \:\ \:\ \ # \: ___\/ #
# \:\_\ \ \ # \ \ `\ \ \ # \:\_\ \ \ # \:\_\:\ \ # \ \ \ #
# \_____\/ # \_\/ \_\/ # \_____\/ # \_____\/ # \_\/ #
# # # # # #
''
</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.

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

{{Special:IframePage}}

=Group Expectations=

The Group Expectations document is available on overleaf https://www.overleaf.com/read/yddfjrvpjckj

=Group Meetings=

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

===Michaelmas 2023===

{| class="wikitable"
! style="width: 20ex;" |'''Date''' || style="width: 18ex;" | '''Talk''' || style="width: 18ex;" | '''Cake'''
|-
|13th October || Lila || Chiara
|-
|27th October || Rowan || Rowan
|-
|10th November || Hugh ||
|-
|24th November || Chiara ||
|}

=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'''
|-
| || ||
|}

=Quantum Computing Resources=
==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 .

==Quantum Brainstorm==
Informal quantum discussions taking place at 10am on Tuesdays in the supervision area.
Notes available [[Quantum Brainstorm|here]].

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

=Summer 'Interns'=
{| class="wikitable"
! style="width: 20ex;" |'''Name''' || style="width: 50ex;" | '''Project''' || style="width: 24ex;" | '''Machine'''
|-
| Theo Hatcher || Excited States and RevQCMagic || gritstone
|-
| Bence Csakany || Quantum Computing on GPUs and FPGAs || obsidian
|-
| Miriam Al-Hadithi || LCLU Astrochemistry || hylas
|-
| Peter Yang || Hamiltonian decomopositions in Quantum Computing || chiron
|}

Past Summer Interns [[Past Summer Interns|here]].

=Summer Dates=
{| class="wikitable"
! Name
! 3rd July
! 10th July
! 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 || || ||
|-
| Theo || || || ||Starts Monday || || || || || || || || Finishes Friday ||
|-
| Bence || || Starts Wednesday || || || || || || || || Finishes Tuesday || || ||
|-
| Miriam || || Starts Wednesday (or Monday?)|| || || || || || || Finishes Friday || || || ||
|-
| Peter || || Starts Monday || || || || || || || Finishes Friday || || || ||
|}

=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]

= [[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`

An up to date list of group members is also available [http://www.ch.cam.ac.uk/group/thom here].

[[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]]

[[File:GroupPhotoJul2022.jpg|1000px|thumb|center|Thom Group photo Summer 2022]]

[[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]]
<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>

[[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]]

= [[Computer_and_Storage_List | Computing Resources]] =
- Group computers available.

- Clusters available.

- Storage available.

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

mv ~/.conda /scratch/$USER/.conda
ln -s /scratch/$USER/.conda ~/.conda

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

# 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

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

= Useful Information =
# Guidelines on [[Code Review]]
# How to do things relating to [[HANDE]]
# 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
# [[Paper submission]]
# [[Getting Started with cerebro]]
# [[Things to do before leaving]]
# [[The Ten Git-mmandments]]: what NOT to do

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

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

= [[Group_activities | Group Activities]] =

= To-do list for the Wiki=

- Sandbox for safe editing : [[Sandbox| Sandbox]]

- A pretty picture

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

- A "How to:" page on using qchem

- A Pretty picture for the $wgLogo

Quantum Brainstorm

2023-10-30T10:14:14Z

Cnl29:

Quantum Brainstorm

2023-10-30T10:12:19Z

Cnl29: /* 24 October 2023 */

Notes about previous and future quantum brainstorm sessions.

==FUTURE==
https://arxiv.org/pdf/2310.12726.pdf

Swap test : phase problem (Lila)

==24 October 2023==
Chiara - QCELS:

Early fault tolerant phase estimation algorithm:
*split up the phase estimation into separate Hadamard tests, only one ancilla qubit required for each test
*Heisenberg limit (1/eps rather than 1/eps^2) scaling retained
*T_max is much lower than in conventional QPE => early Fault tolerant
*only requires a squares overlap with the GS of 0.5

Paper 1:
https://journals.aps.org/prxquantum/pdf/10.1103/PRXQuantum.4.020331

Paper 2 (about one month later, they realised their analysis wasn't optimal - you only need a squared overlap with the GS of 0.5, rather than 0.71):
https://arxiv.org/abs/2303.05714

Nice talk from IPAM 2023:
https://www.youtube.com/watch?v=j-MaQtgzksY

Quantum Brainstorm

2023-10-25T14:18:30Z

Cnl29: /* 24 October 2023 */

Notes about previous and future quantum brainstorm sessions.

==FUTURE==
https://arxiv.org/pdf/2310.12726.pdf

Swap test : phase problem (Lila)

==24 October 2023==
Chiara - QCELS:

Early fault tolerant phase estimation algorithm:
split up the phase estimation into separate Hadamard tests, only one ancilla qubit required for each test
Heisenberg limit (1/eps rather than 1/eps^2) scaling retained
T_max is much lower than in conventional QPE => early Fault tolerant
only requires a squares overlap with the GS of 0.5

Paper 1:
https://journals.aps.org/prxquantum/pdf/10.1103/PRXQuantum.4.020331

Paper 2 (about one month later, they realised their analysis wasn't optimal - you only need a squared overlap with the GS of 0.5, rather than 0.71):
https://arxiv.org/abs/2303.05714

Nice talk from IPAM 2023:
https://www.youtube.com/watch?v=j-MaQtgzksY

Main Page

2022-04-02T15:47:23Z

Cnl29:

<div style="text-align: center;">
''
# _________ # ___ ___ # ______ # ___ __ __ # # _______ # ______ # ______ # __ __ # ______ #
#/________/\ #/__/\ /__/\ #/_____/\ #/__//_//_/\ # #/______/\ #/_____/\ #/_____/\ #/_/\/_/\ #/_____/\ #
#\__.::.__\/ #\::\ \\ \ \ #\:::_ \ \ #\::\| \| \ \ # #\::::__\/__ #\:::_ \ \ #\:::_ \ \ #\:\ \:\ \ #\:::_ \ \ #
# \::\ \ # \::\/_\ .\ \ # \:\ \ \ \ # \:. \ \ # # \:\ /____/\ # \:(_) ) )_ # \:\ \ \ \ # \:\ \:\ \ # \:(_) \ \ #
# \::\ \ # \:: ___::\ \ # \:\ \ \ \ # \:.\-/\ \ \ # # \:\\_ _\/ # \: __ `\ \ # \:\ \ \ \ # \:\ \:\ \ # \: ___\/ #
# \::\ \ # \: \ \\::\ \# \:\_\ \ \ # \. \ \ \ \# # \:\_\ \ \ # \ \ `\ \ \ # \:\_\ \ \ # \:\_\:\ \ # \ \ \ #
# \__\/ # \__\/ \::\/# \_____\/ # \__\/ \__\/# # \_____\/ # \_\/ \_\/ # \_____\/ # \_____\/ # \_\/ #
# # # # # # # # # # #
''
</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.

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

{{Special:IframePage}}

=Group Meetings=

Past Group Meetings [[Past Group Meetings|here]].

===Lent 2022===

{| class="wikitable"
! style="width: 20ex;" |'''Date''' || style="width: 18ex;" | '''Talk''' || style="width: 18ex;" | '''Cake'''
|-
|24th January || Fabio || Andreea
|-
|7th February || Andreea || Kripa
|-
|21st February|| Nick || Brian
|-
|21st March|| Brian || Chiara
|}

=Journal Club=

{| class="wikitable"
! style="width: 20ex;" |'''Date''' || style="width: 18ex;" | '''Contributor''' || style="width: 36ex;" | '''Paper'''
|-
| 8 Oct 2021 || Kripa || [https://arxiv.org/pdf/1712.01815.pdf/ Mastering Chess and Shogi by Self-Play with a General Reinforcement Learning Algorithm]
|-
| 5 Nov 2021 || Brian || [https://pubs.acs.org/doi/10.1021/acs.jpca.1c05962 Neat, Simple and Wrong: Debunking Electrostatic Fallacies Regarding Noncovalent Interactions]
|-
| 6 Dec 2021 || Andreea || [https://pubs.acs.org/doi/10.1021/acs.jpclett.1c03214 Quantum Algorithm for Full Configuration Interaction Calculations without Controlled Time Evolutions]
|-
| 11 Feb 2022 || Nick || [https://www.nature.com/articles/s41598-021-00053-8 Mapping the NFT revolution: market trends, trade networks, and visual features]
|-
| 11 Mar 2022 || Andreea || [https://link.springer.com/article/10.1007/BF02650179 Simulating physics with computers]
|}

=Summer 'Interns'=
Past Summer Interns [[Past Summer Interns|here]].
==2021==
{| class="wikitable"
! style="width: 18ex;" |'''Name''' || style="width: 18ex;" | '''Dates''' || style="width: 25ex;" | '''Project'''|| style="width: 18ex;" | '''Machine'''
|-
| Anna Bui || 19th Jul - 17th Sep || NOCI Carbon Capture || hypatia
|-
| Zian Wang || 19th Jul - 17th Sep || NOCI Photochemistry || obsidian
|-
| Brian Zhao || 19th Jul - 17th Sep || Stochastic Coupled Cluster || gritstone
|-
| Nick Lee || 19th Jul - 17th Sep || NOCI Singlet Fission || moonraker
|}

= [[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].

An up to date list of group members is also available [http://www.ch.cam.ac.uk/group/thom here].

[[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]]
<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>

[[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]]

= [[Computer_and_Storage_List | Computing Resources]] =
- Group computers available.

- Clusters available.

- Storage available.

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

mv ~/.conda /scratch/$USER/.conda
ln -s /scratch/$USER/.conda ~/.conda

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

# 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]]
# 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.

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

= Useful Information =
# Guidelines on [[Code Review]]
# How to do things relating to [[HANDE]]
# 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
# [[Paper submission]]
# [[Getting Started with cerebro]]

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

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

= [[Group_activities | Group Activities]] =

= To-do list for the Wiki=

- A pretty picture

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

- A "How to:" page on using qchem

- A Pretty picture for the $wgLogo