There is a separate handbook for members of the group who are working on the Materials Project (MP), which includes info about production, builders, the API, etc.

Please find this handbook here:

The MP Handbook has restricted access but it is accessible to anybody working on MP, including collaborators outside the Persson Group. Please contact an MP staff member for access.

A member of the Persson Group Onboarding Team will reach out before your expected start date to share this group handbook and coordinate other onboarding efforts to welcome you to the Persson Group. Although many things can only be taken care of after arriving, here are a few simple things you can do in advance.

If you have not been contacted by the Persson Group Onboarding Team at least one week before your arrival, please reach out to the relevant Onboarding Guide (see Group Jobs (Fall 2025)). We try our best to reach out proactively, but there may have been a miscommunication or oversight on our end if we haven't reached out to you before your arrival.

Work Scope and Hiring Details

Several administrative and research details in onboarding are unique to each group member. Some of the following information may have been communicated during your hiring process, but please reach out to Shannon Dowling (srdowling@lbl.gov) to set up a meeting with Kristin if you are unsure. You can also contact members of the Onboarding Team.

• What project(s) will I be working on?

• What funding source will support my work?

• Will I be hired as a UC Berkeley employee (and LBL affiliate) or LBL employee?

You might not have answers to any or all of these questions when you arrive! That's OK! In the meantime, you can also browse the '' tab in group resources for helpful tutorials and additional information about software / codes frequently used within our group.

Many administrative matters (HR orientation, payroll, purchasing, etc.) will vary depending on if you are a UC Berkeley or LBL employee. This information will help you navigate joining the Persson Group such as understanding which administrative systems you will use and who can help you become orientated with your research/work.

If you are an undergraduate research assistant and are getting course credits for your research work, please check with Kristin and your department about the course requirements (workload, final deliverable, etc.) at the beginning of the semester.

Human Resources Orientation

As mentioned above, the HR processes and orientation will vary depending on whether your financial support will come from UC Berkeley or LBL-controlled funding sources. Please refer to the relevant information below depending on your situation.

LBL Employees

• There are a few steps that must be completed before your LBL new hire orientation can be scheduled (completing a formal application, background check, etc.). Contact Sonia Dominguez (scdominguez@lbl.gov) with any questions or status update requests for matters on the Persson Group end during this time.

• Once everything has been successfully processed, you should receive an email from LBL HR regarding an in person new hire appointment with a general national lab orientation and to complete new hire paperwork. This appointment is held at the national lab and further instructions will be sent regarding location, accessing the lab, and getting your badge afterwards.

UC Berkeley Employees

• Once your hiring paperwork with UC Berkeley has been processed, you should receive an email regarding an in person new hire appointment with UC Berkeley HR to complete new hire paperwork. After this appointment, it may take 1-2 weeks for your information to be

  populated into UC Berkeley's HR and payroll system ().

• See for information on how to get your Cal1 card (which serves as an ID card for UC Berkeley). Postdocs will need to wait until after your new hire paperwork meeting and after you have an active profile in UCPath to go to the Cal1 Card Office.

LBL Affiliates (i.e graduate students on fellowship)

• On the Persson Group end, a LBL Affiliate appointment must be processed by our group's assistant, Shannon Dowling, before you can obtain your LBL badge.

• Once your appointment has been processed, you will receive email instructions from LBL for getting your LBL badge and setting up your LDAP account (used for authentification for national lab resources). Unlike LBL employees, no in person orientation with LBL is required. Note that your LBL Affiliate appointment does not depend on having a Calnet ID or Cal 1 Card; this can be processed immediately after you complete your UC Berkeley hiring paperwork.

• If your start date is coming up soon, but you have not received any email instructions from LBL, contact Shannon Dowling asking for an update on the status of your affiliate appointment.

Order a Computer

Most long-term appointments (graduate student, postdoc, staff) involve purchasing a new computer. It typically takes at least 2 weeks for a computer to arrive. To avoid delays once you start from waiting to receive your computer, you can make arrangements to order one in advance. Work with Shannon to handle the purchase (your access to purchasing resources is granted after your arrival). Visit the section of the handbook for group guidelines on computer selection and purchasing.

Short-term appointments (undergraduate students, internships, etc.) will not involve a computer purchase unless otherwise stated. Instead, an excellent computer can be borrowed from the group’s inventory.

Onboarding Points of Contact

Postdoc & Staff Onboarding: Theo Jaffrelot Inizan, 33-143B (theo.jaf@lbl.gov)

Graduate Student Onboarding: Bryant Li, 33-143F (bryantli@lbl.gov)

LBL Administrative Assistance: Shannon Dowling, 33-122B (srdowling@lbl.gov)

LBL Funding & Payroll Assistance: Sonia Dominguez, 33-122B (scdominguez@lbl.gov)

UC Berkeley Administrative Assistance: David Anderssen, Krystle Bartholomew, or Vincent Ianniello, ERSO HR Operations, 199ME Cory Hall (ersohrops@erso.berkeley.edu)

UC Berkeley Funding & Payroll Assistance: Miriam Kader, 353 Cory Hall (mkader@berkeley.edu)

Desk Assignments: Bryant Li, 33-143F (bryantli@lbl.gov)

: See People's page for Group Member emails

Onboarding buddy: the onboarding guide will assign an onboarding buddy to the incoming postdoc/graduate student. The onboarding buddy can help the onboarding guide to answer questions and help our new members get familiar with the workplace.

Purchasing a new computer is budgeted for when hiring long-term appointments (graduate student, postdoc, staff). Short-term appointments (undergraduate students, internships, etc.) will not involve a computer purchase unless otherwise stated as a computer can be borrowed from the group’s inventory instead.

It typically takes 2-3 weeks (and in Fall 2024, it took 20 days ) for a computer to arrive so it is recommended to prioritize placing an order either before your arrival or as soon as possible after you start.

If you are planning to purchase a computer through LBNL, please find the estimated timeline and some general guidelines here. You do not need to use this computer request form. See below on purchasing the laptop.

Why Purchase a Macbook Pro?

Note: The points in this section come mainly from the

Buying a high end Macbook Pro is highly advised although not mandatory. In our experience, Macs offer the best systems for our work and having the same operating system within our group makes it easier to troubleshoot and share code. Using computers with similar hardware can also make it easier to share and pass down computer accessories and equipment. While we want to be conscious of cost and avoid wastefulness, the value of using well performing equipment that better supports our productivity, collaborative group culture, and reduces wasted time adds value which greatly outweighs the initial financial cost. If you would like to get anything other than a Macbook Pro, please consult more senior group members first.

You can use the Apple website to browse details and see what is available in through the supplier, Anacapa, in Ebuy and Bearbuy. Many group members use a 14” or 16" Macbook Pro with an M4 Pro or M4 Max chip. The 14" is as powerful as the 16" and has improved mobility. However, the battery life of the 16'' laptop is slightly longer.

Making the Purchase

If you are ordering a computer before your arrival, you will need to coordinate with Shannon Dowling (srdowling@lbl.gov) to handle the purchase. Please send an email with the details of your selections. You may also need to ask Kristin for a project funding source.

Otherwise, if you are ordering a computer after you have started, you can make arrangements yourself. See

Before arriving onsite, please be sure you completed the Human Resources Orientation checklist in Before you Arrive.

Obtaining/Renewing LBNL Badge

To get onsite access at LBNL, you will need to have your LBNL Badge. If you need to obtain it for the first time or if it is expired, you can email siteaccess@lbl.gov to set up an appointment to get one, or set up an appointment using this link. On the day of your appointment, hop on an LBNL shuttle and show the driver your temporary badge (obtained from an email from siteaccess@lbl.gov). You will be dropped off at B65, the badge office.

Pandemic Policies at LBNL

LBNL has constantly changing and adapting policies in response to COVID-19 based on the current situation. Please refer to to get up-to-date information on Covid Lab Safety Requirements.

UC Berkeley Campus

The Cal 1 card can gives you after-hours and weekend access to the Hearst Memorial Mining Building. Be sure to email Ariana Castro and/or Catalina Estrada for site access.

LBNL Shuttle System

• The most up to date information on using the shuttle system can be found . Note there is a helpful app for tracking the shuttles in real time. The shuttles also have bike racks so it is common for people to use the shuttles to come onsite and then bike home.

• The Blue route is best for getting to and leaving from B33. The closest stop to B33 for coming onsite is B26. To leave from B33, the best stop is B48 (the firehouse) but B54 (the cafeteria) is also an option.

• For getting to the Molecular Foundry (B76), the closest stop is B62, 66, 67. This stop is accessible through both the Blue route and Orange route.

Lunchtime!

• If you are onsite at LBL in B33, people in the group often gather to eat lunch around 12 or 12:30pm. There are picnic tables outside B33 for outdoor eating.

• Many people bring food from home (B33 has a kitchen including a fridge, microwave, and toaster oven) but you can also buy food at the LBNL cafeteria in B54.

• The cafeteria is currently closed (2023) but there are at B91!

This website serves as the group handbook for the Persson Group at the University of California, Berkeley and Lawrence Berkeley National Laboratory.

The purpose of this handbook is to:

1) serve as a living repository for knowledge within the group

2) assist new group members in onboarding

While the Onboarding Guides and the Group Librarian have the ultimate responsibility of overseeing the handbook (see Group Jobs), maintaining and improving the group handbook is the responsibility of all group members. Our newest group members often have the most valuable insight in improving the onboarding process and where there may be critical gaps in the handbook. Please see Contributing for guidelines on making contributions. Note that the handbook can be dynamically searched from within the group Slack by writing /gitbook SEARCH_QUERY.

We would like to especially thank Anubhav Jain, whose wonderful group handbook () inspired much of the content you see here.

About the Group

Our group studies the physics and chemistry of materials using atomistic computational methods and high-performance computing technology. Most of our research is focused on materials for energy applications, such as battery electrode materials, electrolytes, photocatalysts, thermoelectrics, etc. We are co-located at Lawrence Berkeley National Laboratory (LBNL) and the University of California, Berkeley, just down the hill from the Lab. Our main workspaces are located at LBNL, but we have a number of additional desks available on campus for students to use in between classes, which are located in the Graduate Student Bay of Hearst Memorial Mining Building (HMMB).

Group events

Some of the regular things we do as a group are:

• Happy Hour. We meet up for food & drinks most Thursday evenings.

• Group retreats/outings. Past activities include "beach olympics", Halloween costume parties, paintball, cardboard boat races in Kristin's pool, picnics, trips to SF, and more!

• Group Time. A meeting every other week hosted by members of the group that covers important topics within our Group Agreements.

Welcome to Berkeley and the Persson Group! Here is a checklist to help you get started once you have recieved your access to LBL either as an employee or affiliate.

Useful Quick Links

Persson Group Website: People

Google Drive

First Day Checklist

Very Basics & High Priority Administrative Tasks

• The Onboarding Team will communicate with you by email to coordinate having a group member meet you the first time you arrive in Building 33. They will help you find your desk and provide a short walk through to become familiar with the building and introduce you to other group members. Once you make your way to Building 33, ask around to find the group member you are looking for if you are having trouble.

• Follow the instructions received during your orientation or by email to activate your Berkeley Lab Identity Account (aka LDAP). This log-in will be used for most LBL online resources. Connect to the internet using the lbnl-visitor WiFi network (it is open access).

First Week Checklist

Also start working through the other checklists and information below when possible

• Send an email to Theo Jaffrelot Inizan (theo.jaf@lbl.gov) requesting to be added to the Persson Group email lists and team google drive (if you do not have access already). Use the subject line "Onboarding: [YOUR NAME]".

• Complete all LBL/UC Berkeley training courses including the ergonomic self-assessment. Note the GERT must be completed on your first day. Also note that UC Berkeley required training courses will not be assigned until after your UCPath profile is set up, which can take 1-2 weeks after your start date.

• Orient yourself with LBL's calendar system (Google Calendar). Update your LBL calendar with your schedule so other group members can view your availability.

Research Introduction Checklist

• Meet with Kristin to plan an appropriate introduction for your specific research, project management, subgroup, etc.

• Ask to read the proposal that funds your work. This will help explain the impact of your project, the long-term plans and goals, and how your project fits in with other efforts.

• Get familiar with your and any other individuals you will be working closely with for your research.

Computer & IT Checklist

• Install the lab VPN for connecting to the lab network from home. For example, this lets you download research articles from home. See for instructions on installation.

• Contact Howard Li about getting user accounts set-up for any computing resources you may be using (NERSC, Savio, VASP, etc.).

• Get connected to the printer. The printer is located in 143C and instructions for how to connect can be found on the Julian Self is the current printer czar and can advise you if you are having any difficulties.

Payroll Basics

LBL Employees

LBL employees (staff, postdocs, and graduate students) must enter their time on a regular basis using the LETS payroll system (total hours for a single month are reported). You will need the project ID and activity ID associated with the funding source for your income/stipend. Sonia Dominguez sends time entering instructions before each payroll deadline and can address any related questions.

UC Berkeley Employees / LBL Affiliates

UC Berkeley employees (staff, postdocs, and graduate students) must enter their time monthly using the CalTime payroll system.

Note: Sometimes your initial leave balances (24 PTO days and 12 Sick Days) do not populate correctly in CalTime until after the 2nd paycheck processes. If this is an issue (i.e., if you need to use leave during your first pay period), contact ersopayroll@erso.berkeley.edu.

Graduate Students: UC Berkeley's ERSO (Engineering Resrouce Support Organization) handles processing GSR appointment requests. These appointments are used to issue stipends (no need to report hours in a payroll system) so keep an eye out for email reminders each Fall, Spring, and Summer.

An optimal workspace set-up is essential for making sure you can consistently contribute your best efforts. Remember, just as experimental groups invest their resources in chemicals, new lab instruments, equipment time, etc. to do their research, as computationalists, we invest in office items, software, computers, and other related tools that will make our group members more effective. So if you will use it, buy it. Don't worry so much about if you "need" vs. "want" it.

Personalizing Your Workspace

Please feel free to decorate your workspace with photos, posters, or other personal touches.

Basic Ergonomic Workstation Accessories

An effective workspace should help maximize your productivity. You will spend a great deal of time working in this space so it is worth investing in any equipment needed for you to work more efficiently and comfortably. Order any peripherals and ergonomic devices (e.g. wrist pads) such as:

• An external monitor: One big display screen is usually better from an ergonomic perspective than dual monitors. Note that Mac OS include features such as "Split View" (split your display between showing two different windows side by side) and “Spaces” (quickly shift between desktops displaying different sets of windows and open apps).

• A keyboard: The Apple Wireless Keyboard is a popular option. Some prefer mechanical keyboards. If you prefer a larger or ergonomic keyboard, you can certainly get that.

• A

Additional Recommended Computer Accessories

• An external hard drive (compatible with Time Machine for backing-up your computer). 4TB is a good size.

  • Some recommend a USB-C G-Drive that also doubles as a charger.

• An extra computer charger

Remember to be mindful of selecting cables and devices that have compatible ports/connectors and purchasing appropriate adaptors when necessary. There are also many spare adapters/monitors/keyboards etc. in the offices, so please see if you can reuse them before purchasing one, in order to avoid waste.

You should coordinate the specific days of vacation and personal time off with Kristin, especially for an extended absence.

Graduate Students

Graduate students researchers are allotted 12 days of personal time off per year (1 per/month) and graduate student instructors are allotted 3 days of personal time off per semester, as given by the UAW 2865 contracts. Additionally, graduate students are entitled to take off all holidays observed by LBNL. You should email Kristin well in advance (at least one month) with the days you plan to take off.

After discussing with Kristin, please add your PTO to the Persson Group Vacation Calendar. If you do not have access to this calendar, email Shannon for access and add it to your list of calendars.

LBL Postdocs

Postdocs will receive a set number of vacation / personal time off (PTO) days that will be outlined in your hiring package. For union postdocs, the union has currently negotiated 24 PTO days per year along with other benefits.

Berkeley Postdocs

As a new postdoc, you should submit a Postdoc time sheet each month to the Payroll team at 197M Cory Hall, ersopayroll@erso.berkeley.edu. This time sheet is used only to record the Personal Time Off and Sick Leave that you use. According to UC Postdoc policy, you are granted 24 days of Personal Time Off and 12 days of Sick Leave per 12-month appointment.

This guide walks you through the process of making a purchase using BearBuy at UC Berkeley. Note: Your experience may vary (YMMV). Some users may not have permissions to complete a purchase and may need to assign their cart to someone else for processing.

1. Connect to Campus Network

Before you can access BearBuy, you must be connected to the UC Berkeley campus network.

• On Campus: Connect to the eduroam Wi-Fi (UC Berkeley version). ⚠️ The eduroam from LBNL does not count as campus Wi-Fi.

• Off Campus: Use the GlobalProtect VPN to connect to the campus network.

2. Access BearBuy

1. Go to .

2. Log in with your CalNet credentials.

3. You will be redirected to solutions.sciquest.com — this is BearBuy’s main interface.

3. Gather Your Accounting Information

You will need the following "Accounting Codes" to complete your purchase:

• Org Code – Usually 5 letters.

• Department – Usually 5 numbers (description may match Org Code).

• Account – Type of purchase (e.g., software, supplies). Not tied to a specific funding source.

Tip: Email Sonia to request these codes. You can also ask for the Speedtype, which looks like:

• The ##### portion matches the Fund.

• Using the Speedtype will auto-fill the "Accounting Codes" form (except for the Account field).

4. Add Items to Your Cart

1. Search for and add the items you need.

2. Click View Cart (top right) or View Cart Details.

5. Shipping Information

Ship To:

1. Click the search box and look for an address with LBNL (e.g., M/S 72 or M/S 15).

2. Add "No PO#" next to your name in the Ship To field.

Final Destination Code:

• Search for 146 — select: CYCLO00146

This will deliver to the kitchen in our building.

6. Billing Address

• Hit Search Additional and choose Disbursements

7. Delivery Options

• Expedite? Only choose this if necessary — it may add extra costs.

• Ship Via: Select Best Carrier – Best Way unless you have a specific carrier requirement.

8. Fill Out Accounting Codes (the ones from step 3.)

• If you have the Speedtype, enter it — it will auto-fill most fields except Account.

• If you don’t have the Speedtype, fill in the Org, Department, Fund, Chartfield2, and Account manually.

9. Submit Your Order

1. Click Submit to finalize your purchase.

2. Email with:

   • A note that your order has no PO# and came from campus.

10. If You Cannot Submit Orders

If you do not have purchasing permissions:

• Assign your cart to someone who can complete the purchase.

Notes

• This is a general guide — please update if you have a different experience with BearBuy

• Make sure to run your large purchases by Kristin before purchasing

• Ask Sonia if any uncertainties arise, especially about funding.

Graduate Students

New Students Moving from Another State/Country

Although the deadline for filing your Statement of Legal Residence (SLR) is in June, you must complete all necessary conditions for residency (getting your CA drivers license, registering your car in CA, etc) before the end of your first semester.

Postdocs

: Postdocs have the option to join the union which aims to improve wages, hours, benefits, and other employment aspects for its members. You are welcome to ask other postdocs for their opinions based on their experiences with the union as well.

Join the postdoc Slack for general discussions for postdoc life at LBL

For Affiliates

LBL sends out daily emails and offers other notification options through . In the past, some affiliates were not automatically signed-up for Elements announcements and missed important time sensitive information contained in these updates.

LBNL Funded Members

• Use LBNL Ebuy (not Ebay) wherever possible - you need to be on the lab network (onsite via an ethernet cable) or be connected via the VPN

• Use Amazon, etc. to buy various components if not available via EBuy

• The laptop is government property; you are expected to return it to the group when you are done working at LBNL. Note that Mac computers make it very simple to transfer everything over to your next computer.

• You are free to take your laptop home, on trips, etc., unless you are an intern in which case other restrictions may apply from the internship program.

• The lab receives your computer and tags it before sending it over to you.

• You must back up your computer very regularly (at least once per week, ideally continuously). This is simple using the Time Machine app. Just plug your backup drive into your monitor so when you connect to your monitor, you also back up. If there are (for some reason) errors in backing up, fix that issue immediately. There are zero excuses for not doing this.

Making the purchase

1. Provide all the details of your selections in an email and send to Shannon Dowling. If all looks okay, she will give you a project and activity ID.

2. Go to eBuy, and for items available there, add them to your cart and submit the requisition with the project and activity ID. Ask Shannon about which SAS approver to list if you are unsure (the SAS approver can vary by project and activity ID).

3. For items not available on eBuy, contact esdradmin@lbl.gov (and cc Kristin and Shannon Dowling) to obtain a procurement form. Fill it out with item details (Vendor, website, price, etc.) and send it back.

UCB Funded Members

• Use BearBuy

• More details coming to this documentation soon.

1) Mentoring and Individual Meetings

• Individual meetings with Kristin are the best venue for seeking detailed feedback on your projects and giving updates. To set-up a meeting with Kristin, email Shannon Dowling (srdowling@lbl.gov) with when you want to meet and your preferred meeting format (Zoom, B33-143D, Molecular Foundry, 67-3115A, or on campus in HMMB 384). You can either include you availability (via your LBL calendar is one option) or Shannon will respond with available times. If you are meeting in person, the location will often be specified in the calendar event.

• It is up to individual group members to schedule these meetings as often as needed. First and second year students are particularly encouraged to schedule regular meetings with Kristin. You should be able to get a meeting as long as you schedule it at least 1 week in advance. If you are having trouble getting a meeting within that timeframe, email Kristin and Suksham (temp).

• Mentoring in the Persson group goes many directions (Kristin ↔︎ students, staff ↔︎ postdocs, students ↔︎ staff, students ↔︎ students etc.) and you are encouraged to cultivate collaborative and mentoring relationships with colleagues throughout the group. Mentoring and supporting one another is a core part of our responsibilities as group members.

• Mentoring is not hierarchical. More senior colleagues can be valuable sources of feedback and advice, but you are not obligated to listen to them! Ultimate decision making rests with Kristin, other feedback is advisory only.

• Everyone in the group should feel that they have at least two other group members (in addition to Kristin) they can talk to about their work. If you do not feel this way, please contact Kristin, or any postdoc or staff member. In addition, if you feel like you are not getting mentorship you need for a specific aspect of your project within the group, let us know and we can help you find someone to talk with, whether inside or outside the group.

• Big group meeting and subgroup meetings are designed to provide other avenues for feedback and to foster mentoring and collaboration at all levels of the Persson group.

2) "Big" Group Meeting

• Big group presentations are an opportunity for one group member (student, postdoc, or staff) to give a longer, seminar-style presentation and for other group members to see what colleagues they may not interact with frequently are working on.

• All group members are expected to attend the big group meeting. If you have a conflict, please do your best to let Kristin know in advance via email.

• Big group meetings typically occur every other week and Kristin always attends.

3) Subgroup Meetings

• The primary purpose of subgroups is to provide a forum for discussing best practices and problem-solving with your peers.

• All discussion within and outside subgroups should adhere to the standards of conduct in the .

• Members are not expected to make formal presentations at subgroup meetings, but are expected to periodically share what they are working on (including what they may be stuck on or struggling with) and ask questions of their peers.

Research Subgroups and leads (as of Dec 2025)

• Machine Learning: Bryant Li

• MD/Diffusion: Roberta Pascazio

• Inorganic: Aaron Kaplan

4) Group Time

• The group holds an optional (although attendance is encouraged!) "Group Time" meeting where we discuss non-research matters that are of value for our group culture. The purpose of Group Time is to help group members bring the into their daily work and reflect upon the agreements on a regular basis. For convenience, Group Time is scheduled to take place on the same day as group meeting.

• During the fall and spring, Group Time meetings rotate through various topics that relate to the following themes which have been selected based on our .

Our software stack

We contribute to and maintain many Python packages. Many of these can be found under the materialsproject organization on GitHub:

• - for representing and analyzing crystal structures, as well as setting up/performing manual calculations

• - code for the Materials Project API

• - for executing and managing calculation workflows on supercomputing resources. This helps you keep a calculation dashboard

• - Python library for writing computational workflows

• - instead of directly running an executable like VASP, one can wrap the executable in custodian to detect and fix errors

• - repository for materials science workflows.

• - new successor to atomate, written using jobflow. We recommend this package when possible.

• - for building modular, scalable data pipelines

• - builders and API for Materials Project data (built upon maggma)

• - for data mining / ML on materials science data

Additional software used by many members of our group include:

• - Molecular visualization software especially good for crystals

• - Molecular visualization software especially good for molecular dynamics trajectories. We have a group license for the pro version. If you feel you'll be actively using OVITO Pro, please contact Qian Chen for the group license key.

• - graphical molecule builder and viewer that integrates tightly with Q-Chem

If you are a Windows user, consider making use of the following:

• or

• (WSL/WSL2) (highly recommended!)

To learn how to use the software stack, you can consult the documentation of the individual codebases as well as review the following resources:

• The 2018 Materials Project workshop (note that MatMethods is now called atomate):

• The 2014 Materials Virtual Lab presentations:

• The Materials Project YouTube tutorials:

If you have a specific question, sometimes the easiest solution is to post it to the Slack group and crowdsource the answer!

Software help groups

If you have problems with software, and in particular the software maintained by our group and our collaborators, you should contact the appropriate help group. The documentation for the software will list what that channel is; if not, try the Github Issues page. If you are reaching out for help, try to provide everything needed to quickly reproduce and debug the problem (files, test code, etc).

Two other ways to get software help that are more self-guided are:

• If you are having trouble using a particular class or function, look for unit tests within the code, which often demonstrate how to use the class or function

• If the class or function has a unique name (e.g., MaterialsProjectCompatibility), another option is to both Google and search on github.com for the particular class/function. The github.com search will often reveal code snippets from users all around the world.

Perssongroup organization (Github)

Looking for a place to host your code? Our group has an organization on Github here:

Please contact Hui Zheng to be added to the organization.

Github Student Developer Pack (sign up for this!)

As someone who is affiliated with UC Berkeley, did you know that you can get free Github Pro and a ton of free software (e.g., GitKraken, Pycharm, Github Copilot)?

This is totally worth the time to sign up. You can find the application below:

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Special thanks to the original authors of this page: John Dagdelen and Eric Sivonxay

In 2020, the Persson Group came together and drafted a list of Group Agreements. These are now listed on the official group website:

The agreements are a set of values that all members of the Persson Group, as it stood in 2020, agreed upon. The agreements are not intended as "rules", but as things that were important to us at the time and that we wanted to prioritize moving forward. However, the agreements list is a living document; future iterations of the group may decide to edit and establish different group agreements!

Overview

Our group’s main computing resources are:

• (the LBNL supercomputing center, one of the biggest in the world)

Conferences

There are a lot of great reasons to go to scientific conferences:

• you keep up to date on developments in the field

Writing your paper

At some point in every project, you will have gotten far enough along and gathered enough results to be able to start the process of writing a paper. Assuming Kristin has given you the go-ahead, it is a good idea to start your writing process with an outline or a "skeleton" draft of what you anticipate the paper will look like. For a paper skeleton, it's helpful to have most of these things covered: