Kickoff Workshop for the US-Africa Initiative in Electronic Structure at APS March Meeting 2021

Updated March 14, 2021 at 12:38pm Central time

Overview

With the help of the APS, we are hosting our Kickoff Event: a virtual mini-workshop at the 2021 APS March Meeting, Sunday March 14, 2021, 8am - 12pm Central Daylight Time

The purpose of this workshop is to foster the development of collaborations between US and Africa scientists and students. Developing collaborations is the primary goal of the US- Africa Initiative sponsored by the APS Innovation Fund.

The talks slides and posters and videos linked below will not be removed, so if you have a revised version or would like to add something, just email usafricainitiative@gmail.com.

Group Photo

Group photo – 4.3 MB .png version and 24 MB Version

If you will not attend March Meeting:

Note: If you will not attend March Meeting, you still welcome to submit a poster and join activities after the APS meeting! Please:

complete the web form for Poster Submissions
or Signup for the Peer Program
or email usafricainitiative@gmail.com with any questions or issues.

How to attend the USAfrI mini-workshop

This mini-workshop is open to all people registered for the APS March Meeting 2021.

After the mini-workshop: A Guide to APS March Meeting

This USAfrI workshop happens on the Sunday before the March Meeting regular sessions. Richard Martin has prepared two documents to help USAfrI participants navigate the very large APS March Meeting and its thousand talks:

Guide to the APS March Meeting (.pdf) If this is your first APS March Meeting, you may feel overwhelmed. Here Richard explains the general structure of the March Meeting, and the many talk types.
USAfrI Talks at APS 2021 (.pdf) Several USAfrI presenters are giving talks at the March Meeting regular sesions. Richard has compiled a list for you to continue learning about specific research projects and groups.

Schedule and Zoom links of the mini-workshop

Time	Event
7:15 - 8:00 am Central Daylight	Zoom Room open for testing
8:00 - 8:15 am	Introduction
8:15 - 9:15 am	Talks & Discussion (15 minute talk + 5 minute discussion) Our invited speakers will give examples of work that could lead to collaborations. Chair: Renata Wentzcovitch
8:15 - 8:30 am	André Schleife, University of Illinois Electronic excitations from first principles (pdf)
8:35 - 8:50 am	Fatema Yahya Mohamed, University of Khartoum, Sudan Ab Initio Investigation of Self-Assembled Nanostructures (pdf)
8:55 - 9:10 am	Deyu Lu, Brookhaven National Laboratory Welcome to the Center for Functional Nanomaterials (pdf)
9:15 - 9:30 am	Break
9:30 - 10:30 am	Posters Session – Chair: Sinéad Griffin Poster presenters are asked to arrive at the poster session (virtually) on time. Part 1: Pre-recorded ‘slam’-style videos from poster presenters to introduce themselves & proposed areas of interest/collaboration (Videos concatenated: 163MB .m4v lower-res version; (Part 2: Breakout rooms for African posters presenters: US participants are invited to visit the breakout rooms to discuss with African participants. Part 3: Breakout rooms for US poster presenters: African participants can visit breakout rooms.
10:30 am - 11:50 am	Talks & Discussion (15 minutes talk + 5 minute discussion) Chair: Omo Akin-Ojo
10:30 - 10:45 am	George Amolo, The Technical University of Kenya
10:50 - 11:05 am	Cai-Zhuang Wang, Ames National Laboratory Adaptive Genetic Algorithm for Materials Discovery (pdf)
11:10 - 11:25 am	Garu Gebreyesus, University of Ghana Physics of lower dimensional systems: examples of research made possible through collaborations
11:30 - 11:45 am	Kristin Persson, Lawrence Berkeley National Laboratory Data-driven Materials Design using the Materials Project (pdf)
11:50 am - 12pm	Conclusion and Future Directions

Invited Speakers

George Amolo, The Technical University of Kenya
Garu Gebreyesus, University of Ghana
Deyu Lu, Brookhaven National Laboratory
Kristin Persson, Lawrence Berkeley National Laboratory
Andre Schleife, University of Illinois
Fatema Yahya Mohamed, University of Khartoum, Sudan
Cai-Zhuang Wang, Ames National Laboratory

USAfrI Speakers

Omololu Akin-Ojo, East African Institute for Fundamental Research
Sinead Griffin, Lawrence Berkeley National Laboratory
Richard Martin, University of Illinois and Stanford University
Renata Wentzcovitch, Columbia University

List of the Research Groups who are presenting posters

We are looking forward to contributed posters and poster presentations by these researchers and research groups:

People & Research Groups (43)	Institution	Posters linked below
Sara Abass	University of Khartoum	Poster+Video-Abass
Ibrahim Bamidele Adetunji	Bells University of Technology, Ota, Ogun State, Nigeria	Poster-Adetunji
Ridwan Agbaoye	Federal College of Dental Technology and Therapy Enugu, Nigeria	Poster-Agbaoye
B. Samuel Agboola	Federal University of Technology, Akure, Nigeria	Poster+Video-Agboola
Omololu Akin-Ojo	ICTP East African Institute for Fundamental Research (EAIFR), Rwanda	Poster-AKIN-OJO Poster-DANDOGBESSI
Georgies Alene	Addis Ababa Institute of Technology	Poster+Video-Alene
Lynet Allan	University of Nairobi, Kenya	Poster+Video-Allan
N. Felana Andriambelaza	University of Pretoria	Poster+Video-Andriambelaza
Michal Bajdich	SUNCAT Center for Catalysis, SLAC, Stanford, USA	Poster-Bajdich
Stanimir A. Bonev	Lawrence Livermore National Laboratory	Poster/Video-Badjo
Marco Buongiorno Nardelli	University of North Texas	Poster-Jayaraj
Maria K. Chan	Argonne National Laboratory
Mesfin Diro CHAKA	Addis Ababa University	Poster+Video-CHAKA
Gabriel Chirchir	Egerton University, Kenya	Poster+Video-Chirchir
G. Andrés Cisneros	University of North Texas	Poster-Cisneros
Valentino Cooper	Oak Ridge National Laboratory	Poster+Video-Cooper
Michel Côté	Université de Montréal	Poster+Video-Côté
Tabbetha A. Dobbins	Rowan University
David Drabold	Ohio University	Poster+Video-Drabold
Elif Ertekin	University of Illinois at Urbana-Champaign	Poster-Ertekin-Gomes
Marco Fornari	Central Michigan University	Video-Fornari Poster-Carnevali
Giulia Galli	The University of Chicago
Lidia Carvalho Gomes	University of Illinois at Urbana-Champaign	Poster+Video-Gomes-Ertekin
Sinéad Griffin	Lawrence Berkeley National Laboratory	Poster+Video-Craig
Gamachis Gurmesa	College of Natural and Computational Science, Addis Ababa University, Ethiopia	Poster+Video-Gurmesa
Tim Kowalczyk	Western Washington University	Poster-Kowalczyk - will not be at workshop
Richard Martin	UIUC, Stanford U, and ASESMA	Poster+Video-Martin
Murugi Ndirango	Columbia Global Centers-Nairobi
Jonah Nagura	International Centre for Theoretical Physics (ICTP)	Poster+Video-Nagura
Steve Ndéngue	ICTP East African Institute for Fundamental Research (EAIFR), Rwanda	Poster-Ndengue
Jeffrey Neaton	Lawrence Berkeley National Laboratory	Poster+Video-Peterson
Olugbenga Oshakuade	University of Ibadan, Ibadan, Nigeria	Poster-Oshakuade
Mark R. Pederson	University of Texas El Paso	Poster-Pederson
Yuan Ping	University of California Santa Cruz
John J Rehr	University of Washington	Poster+Video-Rehr
James M Rondinelli	Northwestern University	Poster-Walters
Yihan Shao	University of Oklahoma	Poster-Shao
Sashi Satpathy	University of Missouri	Poster-Satpathy
Xiuping Tao	Winston-Salem State University	Poster+Video-Tao - will not be at workshop
Lucas Wagner	University of Illinois at Urbana-Champaign	Poster+Video-Wagner
Renata Wentzcovitch	Columbia University	Poster-Luo Poster-Zhuang Poster-Zhang Poster-Wentzcovitch
Christopher Wolverton	Northwestern University	Poster-Wolverton
David Vanderbilt	Rutgers University	Poster+VideoVanderbilt Poster+Video-Singh
John T. Vinson	National Institute for Standards and Technology	Poster+Video-Vinson

Posters and Videos: (45)

1 Machine Learning coupled with high-throughput computational screening approach for accelerated rechargeable redox flow batteries discovery. (ptx) Mesfin Diro Chaka (AAU, Physics), Chernet Amente Geffe(AAU, Physics) ,Yedilfana Setarge Mekonnen(AAU,Center for Environmental Sciences)	Mesfin Diro CHAKA	Video introduction (m4v)		Channel 1
2 ab-initio Studies of Effects of Doping on Selected Titanium Oxides (pdf) J.M.Mwabora (UoN), G.O.Amolo (TU-K), S.Mureramanzi (UoN).	Lynet Allan	Video introduction (mp4)	Materials Modeling Group, TU-K. http://spas.tukenya.ac.ke/	Channel 1
3 Theory of excited state electronic structure and x-ray spectra (pdf) John J. Rehr (U. Washington Physics; SLAC Photon Science)	John Rehr	Video introduction (mp4)	http://faculty.washington.edu/jjr/ http://www.feff-project.org https://web.stanford.edu/group/times/	Channel 2
4 Cisneros Research group (ptx) G. A. Cisneros (UNT Chemistry)	G. Andrés Cisneros		http://chemistry.unt.edu/~CisnerosResearch/	Channel 2
5 Computational research on glasses and amorphous materials (ptx) David Drabold (Ohio University)	David Drabold	Video introduction (mp4)		Channel 3
6 Examples of computational research in condensed matter physics at the University of Khartoum, Sudan. (pdf) Sara A. H. Abass, Arwa G. F. Mohamed and Abdalla A. Mohammed	Sara Abass	Video introduction (m4v)		Channel 4
7 Vanderbilt group at Rutgers University (ptx) David Vanderbilt (Rutgers University)	David Vanderbilt	Video introduction (mp4)	http://www.physics.rutgers.edu/~dhv	Channel 3
8 Computational Investigation of Efficient and Affordable Energy Conversion and Storage Materials (ptx) Gamachis S Gurmesa, Girum A Tiruye, Yedilfana S Mekonnen, Chernet Amente (College of Natural and Computational Science, Addis Ababa University, Ethiopia)	Gamachis Gurmesa	Video introduction (m4v)		Channel 4
9 Computational X-ray Spectroscopy Using OCEAN (pdf) John Vinson (NIST)	John Vinson	Video introduction (mp4)		Channel 5
10 Microscopic control of SiGe/high-κoxide gate stack for p-MOSFET hole qubits (pdf) B.I.Adetunji(Bellstech, CNR-NANO), F. Tavanti, A. Catellani, A. Calzolari(CNR-NANO)	Ibrahim Bamidele Adetunji			Channel 6
11 Opportunities in multifaceted design of metal-insulator transition materials (ptx) L.N. Walters, K.D. Miller, A. B. Georgescu, J.M. Rondinelli (Northwestern University)	Lauren Walters		Materials theory and design group website: https://mtd.mccormick.northwestern.edu/ Relevant publication: https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.123.236402	Channel 5
12 Many-body quantum calculations and effective low-energy physics (ptx) Yueqing Chang (UIUC), William Wheeler (UIUC), Lucas K. Wagner (UIUC)	Lucas Wagner	Video introduction (mp4)		Channel 7
13 Quantum Capacitance of Metal-Doped Graphene (ptx) O. M. Oshakuade (Ibadan)	Olugbenga Oshakuade			Channel 6
14 ELECTRONIC, STRUCTURAL AND MECHANICAL PROPERTIES OF FeMnP 1-x A x (A x =Si,Ga,Ge ;x=0.33 and 1-x = 0.67) AS A POTENTIAL MAGNETOCALORIC REFRIGERANT ALLOY (pdf) Kipkemei Gabriel Chirchir	Gabriel Chirchir	Video introduction (mp4)		Channel 8
15 US-Africa Initiative Workshop: Condensed Matter Theory at the University of Missouri (ptx) S. Satpathy	Sashi Satpathy		Some recent papers: 1. S. Bhowal and S. Satpathy, Intrinsic Orbital Moment and Prediction of a Large Orbital Hall Effect in the 2D Transition Metal Dichalcogenides, Phys. Rev. B 101, 121112 (R) (2020) 2. S. Bhowal and S. Satpathy, Orbital gyrotropic magneto-electric effect and its strain engineering in monolayer NbX2, Phys. Rev. B 102, 201403 (R) (2020) 3. P. Sahu, S. Bhowal, and S. Satpathy, Effect of Inversion Symmetry Breaking on the Orbital Hall effect: A Model Study, Phys. Rev. B 103, 085113 (2021)	Channel 7
16 2D magnetism of CrI3 – how density functional theory can be used to explain its magnetic properties? (pdf) Xiuping Tao, Department of Chemistry, Winston-Salem State University, Winston-Salem, NC 27110	Xiuping Tao	Video introduction (mp4)		Channel 9
17 Computational Mineral Physics (ptx) J. Zhuang, H. Wang, Q. Zhang, Z. Zhang, R. Wentzcovitch (Columbia University)	Jingyi Zhuang			Channel 9
18 cij: A Python code for quasiharmonic thermoelasticity (ptx) Chenxing Luo	Chenxing Luo		http://mineralscloud.com/people/ https://arxiv.org/abs/2101.12596	Channel 10
19 Software Advances for Mineral Physics Applications (SAMPA) (pdf) Qi Zhang (Columbia University in the City of New York)	Qi Zhang		Here is our group webpage: http://mineralscloud.com/ Here is our GitHub organization: https://github.com/MineralsCloud	Channel 11
20 Ab-initio design of high-TC 2D superconductor: Mg2B4C2 monolayer (ptx) Sobhit Singh^{1}, Aldo H. Romero^{2}, José D. Mella^{3,4}, Vitalie Eremeev^{6}, Enrique Muñoz^{7}, Anastassia N. Alexandrova^{8,9}, Karin M. Rabe^{1}, David Vanderbilt^{1}, and Francisco Muñoz...	Sobhit Singh	Video introduction (mp4)	Personal Website: https://sites.google.com/view/sobhit-singh/	Channel 10
21 Time-independent excited state electronic structure methods and applications to photoactive organic materials (ptx) T. Kowalczyk (Western Washington University)	Tim Kowalczyk			N/A
22 Neaton Group - First Principles Calculations (ptx) E. A. Peterson, J. B. Neaton (UC Berkeley / LBNL)	Elizabeth Peterson	Video introduction (mp4)	https://commons.lbl.gov/display/neatongroup/Home	Channel 11
23 Electronic and optical excitations of 2D BS and BSe and their heterostructure (ptx) Jonah Nagura(ICTP), Ezekiel Oyeniyi(University of Ibadan)	Jonah Nagura	Video introduction (mp4)		Channel 8
24 Spintronic Property of NbRhGeX (X = Cr, Mn, Co, Fe, Ni): A Numerical Investigation. (ptx) Akinpelu S. Babatunde, Adewumi I. Popoola , Agboola B. Samuel (FUTA)	Samuel Agboola	Video introduction (mp4)		Channel 12
25 Marco Buongiorno Nardelli's group at the University of North Texas (ptx) Marco Buongiorno nardelli, Frank Cerasoli, Anooja Jayaraj and Kyle Sherbert	Cerasoli Jayaraj			Channel 13
26 High-Throughput Computational Discovery of Thermoelectric Materials (ptx) Lidia C. Gomes and Elif Ertekin. University of Illinois at Urbana-Champaign	Lidia Gomes and Elif Ertekin	Video introduction (mp4)		Channel 13
27 Wolverton Research Group at Northwestern Univ. (ptx) C. Wolverton	Chris Wolverton			Channel 14
28 Griffin Group - Theory of Quantum Materials (ptx) Isabel Craig (Lawrence Berkeley National Laboratory, UC Berkeley), Sinead Griffin (Lawrence Berkeley National Laboratory)	Isabel Craig	Video introduction (mp4)		Channel 14
29 Computational Catalysis and Data-science for Sustainable Energy (ptx) Michal Bajdich, SUNCAT Center, SLAC National Laboratory and Stanford University	Michal Bajdich		http://suncat.stanford.edu/ catalysis-hub.org/publications	Channel 15
30 Michel Côté's group at Université de Montréal (ptx) Michel Côté (Université de Montréal)	Michel Côté	Video introduction (mp4)		Channel 22
31 Computational Chemistry: Applications, Theory, and Software (pdf) Yihan Shao Research Group	Yihan Shao			Channel 16
32 First-principles studies of the electronic structure of two dimensional (2D) materials (pdf) N.F. Andriambelaza (University of Pretoria), N. Chetty (University of Witwatersrand)	Noeliarinala Felana Andriambelaza	Video introduction (mp4)	https://www.up.ac.za/physics...	Channel 17
33 Structuring Intuition with Theory (ptx) V. Carnevali and M. Fornari (Central Michigan University)	Virginia Carnevali		http://people.cst.cmich.edu/forna1m/index.html	Channel 16
34 First-principles based materials design and discovery (ptx) V. R. Cooper, K. Pitike, S. R. Acharya	Valentino Cooper	Video introduction (mp4)	www.mcclean-cooper.com/valentino	Channel 18
35 Band structure and Absorption spectra of Perovskite materials (ptx) R.O.Agbaoye(FEDCODTTEN), Stephane Kenmoe (Uni-DUE),P.O. Adebambo, G.A.Adebayo (FUNAAB)	Ridwan Agbaoye	Video introduction (mp4)	https://drive.google.com/file...	Channel 17
36 Introduction to Fornari Group M. Fornari (Central Michigan University)	Marco Fornari	Video introduction (mp4)	http://people.cst.cmich.edu/forna1m/index.html	Channel 18
37 Computational Chemical- and Condensed Matter Quantum Groups (ptx) M.R. Pederson, T. Baruah, and R. Zope, University of Texas at El Paso	Mark Pederson			Channel 19
38 Promising photocatalytic performance and electronic properties of van der Waals Hetrostructure of ZnO-MoSSe (ptx) Georgies Alene, Tekalign T. Debela, Girma Mekonnen	Georgies Alene	Video introduction (m4v)		Channel 20
39 Studying Materials Under Extreme Conditions (ptx) Yaye Hamidou Badjo	Yaye Hamidou Badjo			Channel 19
40 Tutors, Mentors, and Peers (ptx) Richard Martin	Richard Martin	Video introduction (mp4)		Channel 21
41 Wentzcovitch Group (ptx) Renata MM Wentzcovitch	Renata Wentzcovitch			Channel 22
42 ICTP East African Institute for Fundamental Research (EAIFR) Rwanda (pdf) Omololu AKIN-OJO	Omolulu AKIN-OJO			Channel 15
43 Columbia Global Centers-Nairobi Murugi Ndirango	Murugi Ndirango			Channel 23
44 Quantum Dynamics Research @EAIFR (pdf) Steve Ndéngue (EAIFR)	Steve Ndéngue			Channel 23
45 Computational quantum mechanical studies of materials esp. renewable energy materials (pdf) Bruno DANDOGBESSI	Bruno DANDOGBESSI			Channel 20