I made some small changes to these files. - #22

I am running a bit late as well! So good. I don’t think I sent a zoom link earlier. We can use https://iastate.zoom.us/j/5153223941 Best, Theresa From: "Nerenberg, Paul" <[email protected]> Date: Friday, June 22, 2018 at 11:23 AM To: "K. Aurelia Ball" <[email protected]> Cc: "Windus, Theresa L [CHEM]" <[email protected]> Subject: Re: Notes from the call I’m fine with that. On Jun 22, 2018, at 9:18 AM, K. Aurelia Ball <[email protected]<mailto:[email protected]>> wrote: Hi, would it be ok if we meet at 1:15? I’m running a bit late today. Lia On Thu, Jun 21, 2018 at 2:55 PM Nerenberg, Paul <[email protected]<mailto:[email protected]>> wrote: OK. Should be all set! Paul On Jun 21, 2018, at 11:43 AM, Windus, Theresa L [CHEM] <[email protected]<mailto:[email protected]>> wrote: Yes, you should register as a speaker so that you can get a meal ticket, etc. You should also say you are attending the MolSSI workshop – just so they ca have everything ready. That is why Lia and I show up on the participant list. Best, Theresa From: "Nerenberg, Paul" <[email protected]<mailto:[email protected]>> Date: Thursday, June 21, 2018 at 1:41 PM To: "Windus, Theresa L [CHEM]" <[email protected]<mailto:[email protected]>> Cc: "K. Aurelia Ball" <[email protected]<mailto:[email protected]>> Subject: Re: Notes from the call Quick question: Does Togo need us to register (as speakers)? I vaguely remember doing something like this last year. Paul On Jun 21, 2018, at 11:25 AM, Windus, Theresa L [CHEM] <[email protected]<mailto:[email protected]>> wrote: Togo sent me another e-mail and he says that there are several groups who haven’t signed up for the conference yet and he is going to send them a reminder. So, we may get more students as we get closer to the deadline for registration. He also said that there is a MERCURY conference survey and that we could add a few questions to that survey. So, please think about what we could be adding. Best, Theresa From: "K. Aurelia Ball" <[email protected]<mailto:[email protected]>> Date: Thursday, June 21, 2018 at 10:55 AM To: "Windus, Theresa L [CHEM]" <[email protected]<mailto:[email protected]>> Cc: "Nerenberg, Paul" <[email protected]<mailto:[email protected]>> Subject: Re: Notes from the call I'm not sure why this list is so weird, maybe I should contact Togo about it. One of the duplicates of me is actually for one of my students, Lieza Chan, so we do have 22 students. Lia K. Aurelia Ball Asst. Prof. Chemistry Skidmore College 518-580-8191 [email protected]<mailto:[email protected]> [email protected]<mailto:[email protected]> On Thu, Jun 21, 2018 at 11:44 AM, Windus, Theresa L [CHEM] <[email protected]<mailto:[email protected]>> wrote: Hi Paul and Lia, Togo sent me the attached list of participants to use for sending our letter to the participants. I note that Lia seems to be on the list twice and I am on there once. So, we don’t have as many students (at least at the moment) as we had last year. However, based on the names, it looks like we are getting quite a few women to sign up! Paul, you sent out the e-mail to the students last time – do you want to do it again? Or I am happy to do so if you like. Related to the lower attendance numbers, I was thinking that it might be useful for us to survey the conference attendees about what they would prefer for the workshop (before or after the conference, longer or shorter format). We wouldn’t have to stick with what they want, but it would give us a data point to look at. I have asked Togo if there is a survey that the conference does to see if we could add a couple of questions. Also, we should plan to have a survey ready at the end of the workshop for the students to fill out about the workshop – or alternatively, we could have several surveys that they fill in as they are going along. Last year, we got some responses to our survey that we posted after everyone had left, but I think we would get more/better feedback if we did it while we were at the workshop. Thoughts? I have to admit that I haven’t made much time to work on the exercises, but I hope to get through at least part of them before our call tomorrow. Best, Theresa From: "Nerenberg, Paul" <[email protected]<mailto:[email protected]>> Date: Thursday, June 14, 2018 at 6:04 PM To: "Windus, Theresa L [CHEM]" <[email protected]<mailto:[email protected]>> Cc: "K. Aurelia Ball" <[email protected]<mailto:[email protected]>> Subject: Re: Notes from the call Hi all, I’ve re-organized the Drive folder (as you may have already seen), and I’ve gone through Exercises #1-3 and made a few fixes/changes in #2 and #3. Please take a look at all of them when you have the chance and keep your feedback handy for our next chat on June 22. I will try out Exercise #4 between now and then. Cheers, Paul On Jun 9, 2018, at 11:02 AM, Nerenberg, Paul <[email protected]<mailto:[email protected]>> wrote: Thanks for taking notes, Theresa. This is super helpful. I’ve already begun the clean-up/re-organization of the Google Drive folder. More to come soon… Cheers, Paul On Jun 8, 2018, at 3:24 PM, Windus, Theresa L [CHEM] <[email protected]<mailto:[email protected]>> wrote: Lia has a student who can check out the PC stuff for us. She has 5 students are coming to the conference and the workshop. One is a more experienced person and the rest are relatively new. All will have already done some parts of the workshop who could be really helpful to others as mentors. 37 students at the moment of a limit of 53. Togo Odbadrakh is now going to be our point of contact. Berhane has moved to the College of Charleston in research computing. Lori has the rooms/snacks/etc all in hand. Theresa will ask for name tags. For the introduction: Name, University, year, say something about what research is on and how they are going to use this workshop. If we want to do QM at all for the force field development, Theresa can step in to help. Paul will take that part in the force field activity. Lia – Intro to MD, MD simulations of alkanes Paul will rework the hands-on activities and organizing our google drive. Lia and Theresa will go through the activities as they are ready and will see if there are possible improvements. Need to coordinate between us what each will teach. Theresa will again do the Git/GitHub part. Paul is working on doing everything within the Jupiter notebook instead of additional installation like last year (e.g. nglview instead of VMD). Streamlining the student e-mail to the students. Registration closes July 6. We can send an e-mail out June 22. Theresa will ask Togo for list of students for then. Important to all use the same text editor? No, but it might be a bit easier, especially if they don’t know when already – Atom. Theresa will set up a MolSSI repo for the workshop materials (aureliaball is Lia’s GitHub ID) We will have meetings June 22 at noon Central and July 10 at noon Central.

He says he will try to get it in over the weekend. Have a fun vacation!! Theresa From: Chelsey Aisenbrey <[email protected]> Date: Friday, June 22, 2018 at 10:04 AM To: "Windus, Theresa L [CHEM]" <[email protected]> Subject: Re: CBS Director - Search Committee Meeting and Next Steps Hi Theresa, Thank you for letting me know. We have received an additional application last night from someone too. At the meeting on Monday, as a committee, there will be a discussion on how to handle these applications. Hopefully Roger's is received soon, so the appropriate next steps can be discussed. I'll be on vacation all of next week. Lynnette will be representing HR at the meeting. Let me know if you have any questions. Have a great weekend! Chelsey On Fri, Jun 22, 2018 at 9:33 AM, Windus, Theresa L [CHEM] <[email protected]<mailto:[email protected]>> wrote: Hi Chelsey, I just found out that Roger Rousseau will apply for the CBS position soon. I have encouraged him to try to get it in before Monday, but I don’t know when he will actually apply. I think he would make a very good candidate and wanted to bring this to your attention since it is after the full consider date. I don’t know the best way to handle this. Best, Theresa From: Chelsey Aisenbrey <[email protected]<mailto:[email protected]>> Date: Thursday, June 21, 2018 at 7:20 AM To: "Windus, Theresa L [CHEM]" <[email protected]<mailto:[email protected]>> Subject: Re: CBS Director - Search Committee Meeting and Next Steps Thank you, Theresa! Chelsey On Wed, Jun 20, 2018 at 9:55 PM, Windus, Theresa L [CHEM] <[email protected]<mailto:[email protected]>> wrote: Hi Chelsey, Here is my matrix. Best, Theresa From: Chelsey Aisenbrey <[email protected]<mailto:[email protected]>> Date: Monday, June 18, 2018 at 8:29 AM To: Adam Schwartz <[email protected]<mailto:[email protected]>>, "Hillier, Andrew C [C B E]" <[email protected]<mailto:[email protected]>>, "Jenks, William S [CHEM]" <[email protected]<mailto:[email protected]>>, James Evans <[email protected]<mailto:[email protected]>>, "Windus, Theresa L [CHEM]" <[email protected]<mailto:[email protected]>>, "Pruski, Marek [A LAB]" <[email protected]<mailto:[email protected]>>, "Vigil, Dennis R [C B E]" <[email protected]<mailto:[email protected]>> Cc: Chelsey Aisenbrey <[email protected]<mailto:[email protected]>>, Melinda Schlosser <[email protected]<mailto:[email protected]>> Subject: CBS Director - Search Committee Meeting and Next Steps Good morning, The ensure consideration date for the CBS Director position was yesterday. As a result, we want to proceed with scheduling our next meeting. You will be receiving a meeting request shortly for a search committee meeting on Friday, June 22nd from 8:00 - 9:00 a.m. in 315 TASF. I looked at free/busy on calendars, so I hope this works for most of you. The log-in information for this posting is listed below. Please let me know if you have any difficulties with getting into PeopleAdmin. Web address: https://www.iastatejobs.com/hr Username: gu126117 Password: IBO8cK Please send me your completed applicant matrix by noon on Thursday. I will then compile the matrices into one committee matrix for us to discuss at the meeting on Friday morning. I've attached the updated matrix with all of the candidate names to this email. Please let me know if you have any questions as you are completing. Thanks, Chelsey

Great! Best, Theresa From: "Rousseau, Roger" <[email protected]> Date: Friday, June 22, 2018 at 9:58 AM To: "Windus, Theresa L [CHEM]" <[email protected]> Subject: Re: Director of Chemical and Biological Sciences position Will try to get it in this weekend. All the best Roger From: "Windus, Theresa L [CHEM]" <[email protected]> Date: Friday, June 22, 2018 at 7:36 AM To: "Rousseau, Roger" <[email protected]> Subject: Re: Director of Chemical and Biological Sciences position Hi Roger, Great!! I am glad to hear that you are interested! Yes, please do get your application in soon. I have given our HR department a heads-up since we are formally past the full consideration date. This will not be an issue, though, if we can get your application soon. Please let me know if you have any questions or concerns. Best, Theresa From: "Rousseau, Roger" <[email protected]> Date: Friday, June 22, 2018 at 8:24 AM To: "Windus, Theresa L [CHEM]" <[email protected]> Subject: Re: Director of Chemical and Biological Sciences position Hi Theresa I thought this through carefully and decided I will apply for this position. I think my experience with program managers from multiple DOE offices as well as my experience mentoring junior staff and managing both staff as well as large projects in the lab system may be an asset for this position. Thank you very much for bringing this posting to my attention in will try to get my application in shortly. Roger From: "Windus, Theresa L [CHEM]" <[email protected]> Date: Friday, June 15, 2018 at 5:37 PM To: "Rousseau, Roger" <[email protected]> Subject: Director of Chemical and Biological Sciences position Dear Roger, The Ames Laboratory in Ames, Iowa, has launched a national search for its next Director of Chemical and Biological Sciences (DCBS). Given your scientific and administrative experience, we want to bring this to your attention. Ames Laboratory https://www.ameslab.gov/ is a government-owned, contractor-operated National Laboratory of the U.S. Department of Energy (DOE), operated by and located on the campus of Iowa State University in Ames, Iowa. For over 70 years, the Ames Laboratory has successfully partnered with Iowa State University, and is unique among the DOE laboratories in that it is physically located on the campus of a major research university and AAU member institution. The mission of the Ames Laboratory is to create materials, inspire minds to solve problems, and address global challenges. The Director of the Chemical and Biological Sciences is responsible for managing, developing, guiding, and advancing the Division’s mission as well as the overall mission of Ames Laboratory. The CBS Division spans experimental and theoretical chemical and biological sciences and possesses state of the art experimental capabilities such as a leading Dynamic Nuclear Polarization solid state NMR and other cutting edge spectroscopic facilities. The Director will manage a research team of about 100 faculty, staff, students, and associates. Depending on the qualifications of the finalist, this position may be hired as a Director III Professional and Scientific staff position or as an Associate or Full Professor faculty position. More information about the position and how to apply can be found here: http://www.iastatejobs.com/postings/31792. We hope that this opening might attract your own interest or that you will be able to point us to individuals who might be strong candidates for this position. We welcome applications from national laboratories, universities, and industry. At your convenience, we would very much like to speak with you about this opportunity and share more information. Sincerely, Theresa Professor Theresa Windus Iowa State University Associate Ames Laboratory