2021-2022 Participants of USAfrI

✱ indicates an Advisory Board Member for 2021-2022

Researchers in Africa
Researchers in the US and Other

Researchers in Africa (84 people)

Name, by last name	Institution	Presentations
Dr. Sara Abass Assistant Professor	University of Khartoum (Sudan) · Video Introduction	June 2021 Talk: Structural and Electronic Properties of H2Ti3O7 and Na2Ti3O7 (pdf) March 2021 Poster: Examples of computational research in condensed...
Tewodros Eyob Ada	Addis Ababa University (Ethiopia)	Scientific Theme(s): Functional June 2021 Poster: The effect of Non-centrosymmetricity on optical and electronic properties of cubic BaHfO3 perovskite structure
Tsigie Adane	Addis Ababa University (Ethiopia)	Scientific Theme(s): Functional June 2021 Poster: Janus monolayer with WS2 heterostructure for photovoltaic device :first principal study
Paul Olufunso Adebambo	Federal University of Agriculture Abeokuta (Nigeria)	Scientific Theme(s): Excited
Prof. Gboyega Adebayo ✱ Professor	Federal University of Agriculture, Abeokuta (Nigeria)	Scientific Theme(s): Energy, Geo June 2021 Poster: Computational Discovery and Assessment of the Thermoelectric Properties of Half-Heusler Compounds Bamidele Ibrahim, Lidia C. Gomes, Winfred Mulwa, Jonah Nagura, Elif Ertekin, Gboyega A. Adebayo...
Dr. Bamidele Adetunji Senior Lecturer	Bells University of Technology, Ota, Ogun State, Nigeria (Nigeria)	Scientific Theme(s): Energy, Geo June 2021 Poster: Computational Discovery and Assessment of the Thermoelectric Properties of Half-Heusler CompoundsBamidele Ibrahim, Lidia C. Gomes, Winfred Mulwa, Jonah Nagura, Elif Ertekin, Gboyega A. Adebayoa March 2021 Poster: Microscopic control of SiGe/high-κoxide gate stack...
Dr. Mesfin Asfaw Afrassa Lecturer	Adama Science and Technology University (Ethiopia)	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: The study on the effect of Mn substitution in NaFeAs; Azeb Shewaferaw, Mesfin Asfaw Adama Science and Technology University, Adama, Ethiopia
Ridwan Agbaoye	Federal College of Dental Technology and Therapy Enugu, Nigeria (Nigeria) Webpage · Video Introduction	Scientific Theme(s): Functional,Excited June 2021 Poster: Absorption spectra and band correction of Co3O4 March 2021 Poster: Band structure and Absorption spectra of...
Mr. Babafemi Agboola Student	Federal University of Technology, Akure (Nigeria) · Video Introduction	June 2021 Poster: Numerical Investigation of Sr2PdSe for Possible Use as a Thermoelectric Material March 2021 Poster: Spintronic Property of NbRhGeX (X =...
Jared Agora	Kisii University (Kenya)	Scientific Theme(s): Functional June 2021 Poster: Ab Initio Study of Pressure Induced Phase Transition, Structural and Electronic Structure Properties of Superconducting Perovskite Compound GdBa2Cu3O7-x
Dr. Omololu Akin-Ojo Director	East African Institute for Fundamental Research (Rwanda)	June 2021 Talk: Machine Learning the Critical Temperatures of Metals March 2021 Poster: ICTP East African Institute for Fundamental...
Mr. Shittu Akinpelu Graduate student	Federal University of Technology, Akure (Nigeria)	June 2021
Ms. Lynet Allan Student	University of Nairobi (Kenya) Webpage · Video Introduction	Scientific Theme(s): Excited June 2021 Poster: Ab initio studies of structural and electronic properties of selected titanium oxides March 2021 Poster: ab-initio Studies of Effects of Doping...
Prof. George Amolo ✱ Professor	Technical University of Kenya (Kenya) Webpage	Scientific Theme(s): Functional June 2021 Poster: Two-Dimensional graphene-HfS2 van der Waals heterostructure as electrode material for Alkali-ion batteries. Gladys W. King'ori,* ab Cecil N. M. Ouma,...
Noeliarinala Felana Andriambelaza	University of Pretoria (South Africa) Webpage · Video Introduction	March 2021 Poster: First-principles studies of the electronic structure...
Frew Asefa Master's student	Addis Ababa University (Ethiopia) · Video Introduction	June 2021
Timothy Ashani	Federal University of Agriculture Abeokuta (Nigeria)	Scientific Theme(s): Energy, Geo
Dr. Georgies Alene Asres Assistant Professor	Addis Ababa Institute of Technology (Ethiopia) · Video Introduction	Scientific Theme(s): Excited June 2021 Talk: "Promising photocatalytic and photovoltaic performance and electronic properties of van der Waals Heterostructure of ZnO-MoWSSe Poster: Promising photocatalytic and photovoltaic performance and electronic properties of van der Waals Heterostructure of ZnO-MoSSe March 2021 Poster: Promising photocatalytic performance and electronic properties...
Abdulwaheed Audu	Kwara State University (Nigeria)	Scientific Theme(s): Energy, Geo
Mohamed Bayawa	University of Yaounde 1 (Cameroon)	Scientific Theme(s): Excited June 2021 Poster: Calculation of Exciton Energies and Lifetimes for Solar Cell Modeling using the Density Functional Theory (DFT) and the Bethe-Salpeter Equation (BSE).
Prof. Ali Benali Professor	Faculty of Sciences of Tunis, University Tunis El Manar (Tunisia)	Scientific Theme(s): Many body June 2021 Poster: Density Matrix Renormalization Group Simulations of Alternating Spin Ladders (pdf) Kaouther Essalah, Ali Benali, Anas Abdelwahab, Eric Jeckelmann and Richard...
Natei Ermias Benti	Wolaita Sodo University (Ethiopia)	Scientific Theme(s): Functional
Mireille Kabuyi Bilonda	University of Kinshasa (Congo)	Scientific Theme(s): Surf/Mol, Magnetism
Dr. Virginia Carnevali Postdoctoral Researcher	Central Michigan University (Rwanda) Webpage	Scientific Theme(s): Data/ML, Many body , methods June 2021 Poster: Quantum computation to generate of structural models in materials science Virginia Carnevali 1, Ilaria Siloi 2, Rosa Di Felice 2,... March 2021 Poster: Structuring Intuition with Theory (ptx)
Mesfin Diro Chaka	Addis Ababa University (Ethiopia) · Video Introduction	Scientific Theme(s): Many body June 2021 Poster: Application of DFT-based machine learning for high performance rechargeable flow batteries March 2021 Poster: Machine Learning coupled with high-throughput computational...
Samuel Chigome ✱	Botswana Institute for Technology Research and Innovation (Botswana)
Kipkemei Gabriel Chirchir	Egerton University (Kenya) · Video Introduction	March 2021 Poster: ELECTRONIC, STRUCTURAL AND MECHANICAL PROPERTIES OF...
Dr. Lesley Cornish ✱	University of the Witwatersrand, Johannesburg School of Chemical and Metallurgical Engineering (South Africa) Webpage
Mr. Rene Costa PhD student	The Nelson Mandela African Institution of Science and Technology (NM-AIST) (Tanzania) · Video Introduction	Scientific Theme(s): Energy, Geo June 2021 Poster: Designed Complexes Based on Betanidin and L0 Dyes for DSSCs: Thermodynamic and Optoelectronic Properties from DFT study. Rene Costa, Department...
Bruno Dandogbessi	Institut de Mathematiques et de Sciences Physiques (Benin)	Scientific Theme(s): Energy, Geo June 2021 Poster: Evaluating the Stability of Single-platinum Catalysts with High Chemical Activity March 2021 Poster: Computational quantum mechanical studies of materials...
Claudelle Sybilline Anensong Djadock	University of Dschang (Cameroon)	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Evaluating the Stability of Single-platinum Catalysts with High Chemical Activity
Dr. Dick Harmann DOUMA Professor	Université Marien Ngouabi (Congo)	Scientific Theme(s): Excited June 2021 Talk: Experimental versus ab initio x-ray absorption of iron-doped zirconia: Trends in O K -edge spectra as a function of iron doping Poster: Experimental versus ab initio x-ray absorption of iron-doped zirconia: Trends in O K -edge spectra as a function of iron doping
Ms. Kaouther Essalah PhD student	Faculty of Sciences of Tunis, University Tunis El Manar (Tunisia) · Video Introduction	Scientific Theme(s): Many body June 2021 Poster: Magnetic properties of alternating Hubbard ladders
Jean Baptiste Fankam	University of Yaounde 1 (Cameroon)	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Theoretical investigation of the molecular structure, vibrational spectra, thermodynamic and nonlinear optical properties of 4, 5‐dibromo‐2, 7dinitro‐ fluorescein
Dr. Gebremedhn Gebreyesus ✱	University of Ghana Department of Physics, School of Physical & Mathematical Sciences (Ghana)	June 2021 March 2021 Poster: Physics of lower dimensional systems: examples... Talk: Physics of lower dimensional systems: examples...
Mr. Gamachis Gurmesa PhD student	Addis Ababa University (Ethiopia) · Video Introduction	Scientific Theme(s): Data/ML, Many body , methods June 2021 Talk: Fast 3D-lithium-ion diffusion and high electronic conductivity of Li2MnSiO4 surfaces for rechargeable lithium-ion batteries Poster: Rational design of biaxial tensile strain for boosting electronic and ionic conductivity in Na2MnSiO4 for Na-ion batteries March 2021 Poster: Computational Investigation of Efficient and Affordable...
Gebremedhn G. Hagoss	University of Ghana (Ghana)	Scientific Theme(s): Functional June 2021 Poster: Electronic Structure and Magnetism of the Three-layered Ruthenate Sr4Ru3O10.
Mr. Asnake Haile PhD student	Addis Ababa University (Ethiopia)	Scientific Theme(s): Energy, Geo June 2021 Poster: Pyridinic Type N-doped Graphene on Cobalt Substrate as Efficient Electrocatalyst for Oxygen Reduction Reaction in Acidic Solution in Fuel Cell...
Mr. Sospeter Isambula Assistant Lecturer	Arusha Technical College (Tanzania)	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Quantum Chemical Study of Structure, Vibrational Spectra and Thermodynamic Properties of Molecular and Ionic Clusters Existing in Vapours over Strontium Dichloride,
Dr. Magnoungou Julfrige Habib Josué Assistant	Université Marien Ngouabi (Congo) · Video Introduction	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Effect of the oxygen adsorption on magnetic structure of MnPd bilayer grown on Fe/MgO(001) substrate. Ab initio study.
Richard Arnaud Yossa Kamsi	University of Yaoundé 1 (Cameroon)	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Computational study of reactivity and solubility of Rubescin D and E molecules in gas phase and in solvent media using...
Mr. Affan Kareem Teaching Assistant	Federal University of Technology, Akure (Nigeria)	June 2021
Willy Bellard Kira	Institut de Mathématiques et de Sciences Physiques (Benin)	Scientific Theme(s): QMC June 2021 Poster: Mean-field theory study and Monte Carlo simulations of kinetic spin- 3/2 Blume-Emery-Griffiths model in an oscillating magnetic field.
Amos Sospeter Kiyumbi	University of KwaZulu Natal (South Africa)	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Plasmonic Resonators in Gold Crystalline Particles: Fabrication and Optical Properties
Stève-Jonathan Koyambo-Konzapa	Université de Bangui (Central African Republic)	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Molecular structure, vibrational spectroscopic, NLO and anticancer activities of indole-3-pyruvic acid: combined DFT and molecular docking studies
Dr. Caroline Kwawu Lecturer	Kwame Nkrumah University of Science and Technology (Ghana)	Scientific Theme(s): Energy, Geo June 2021 Poster: Lignin valorization on Bimetallic surfaces of Cu: A DFT Studies
Teshome Lelisho	Hawassa University (Ethiopia)	Scientific Theme(s): Energy, Geo June 2021 Poster: Theoretical study on the efficacy of DBN/LiBr system as a catalyst for fixation of CO2 with propylene oxide: Solvent effects on activation barriers
Prof. Bernard M'Passi Mabiala Professor	Université Marien Ngouabi (Congo)	June 2021
Dr. Malik Maaza ✱ Materials Project Staff, Materials Science Division	iThemba Laboratories for Accelerator Based Sciences (LABS) (South Africa) Webpage
Minette Iris Moting Madefo	University of Yaounde 1 (Cameroon)	Scientific Theme(s): Bio
Laura Taguefouet Makemjio	University of Dschang (Cameroon)	Scientific Theme(s): Many body
Alhadji Malloum	University of Maroua (Cameroon)	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Solvation Energies of the Proton in Ammonia
Dr. Brice Rodrigue Malonda Boungou Lecturer	Université Marien Ngouabi (Congo)	June 2021 Talk: Structural, electronic, magnetic and anisotropy properties for MnBi, O/MnBi, Ta/MnBi and O/Ta/MnBi systems: DFT calculations(pdf)
George Manyali	Kaimosi Friends University College (Kenya)	Scientific Theme(s): Energy, Geo June 2021 Poster: Growing a generation of computational Physics in Kenya
Emeline Sorelle Mefouegang	University of Dschang (Cameroon)	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Synthesis, structural characterization, NBO and DFT analyses of cobalt(II)complexes based on schiff-base ligand
Dr. Victor Meng'Wa Lecturer	Alupe University College (Kenya)	Scientific Theme(s): Excited June 2021 Talk: Density Functional Theory Study of Water Photo-Oxidation at Copper Oxide Nanostructures on the Anatase (101) Surface Poster: Density Functional Theory Study of Water Photo-Oxidation at Copper Oxide Nanostructures on the Anatase (101) Surface . George S. Manyali,...
Fatema Yahya Mohamed	University of Khartoum, Sudan (Sudan)	March 2021 Poster: Ab Initio Investigation of Self-Assembled Nanostructures... Talk: Ab Initio Investigation of Self-Assembled Nanostructures...
Ms. Perpetua Muchiri Graduate Assistant	Technical University of Kenya,University of Eldoret (Kenya)	June 2021 Poster: Comprehensive study on the mechanical and structural properties of Niobium Carbide and Niobium Nitride March 2021 Poster: Comprehensive study on the mechanical and...
Dr. Winfred Mulwa Head of computational Material Science	Egerton University- Kenya (Kenya)	Scientific Theme(s): Energy, Geo June 2021 Talk: Computational Discovery and Assessment of the Thermoelectric Properties of Half-Heusler Compounds Poster: Thermoelectric properties of Materials
Dr. Steve Ndéngue Senior Lecturer	East African Institute for Fundamental Research (Rwanda)	June 2021 Talk: Wavepacket simulation of the infrared spectrum of (H2O)2 in the OH-stretching region (pdf) March 2021 Poster: Quantum Dynamics Research @EAIFR (pdf)
Preslie Sala NIANGA OBAMBI PhD student	Université Marien Ngouabi (Congo)	June 2021
Mr. Christian Aimé Njeumen PhD student	University of Yaounde 1 (Cameroon) · Video Introduction	Scientific Theme(s): Functional June 2021 Poster: Computational studies of reactivity descriptors, electronic and nonlinear optical properties of multifunctionalized fullerene ylide with acetylsalicylic acid. Christian Aimé NJEUMEN...
Falonne Bertholde Sharone Nkou	MARIEN Ngouabi University (Congo)	Scientific Theme(s): Functional June 2021 Poster: THEORETICAL INSIGHTS INTO MAGNETIZATION IN GRAPHENE CONTAINING SINGLE AND INTERACTING NANOPOROUS DEFECTS.
Phillip Nyawere	Kabarak University (Kenya)	Scientific Theme(s): Many body June 2021 Poster: Defects Calculation Using Quantum Espresso
Oluwakemi Odeyemi	Joseph Ayo Babalola University, Ikeji Arakejis ,University of Benin (Benin)	Scientific Theme(s): Energy, Geo ,Functional June 2021 Poster: Effect of Sr - Transition Metal Substitution on Electronic and Mechanical Properties of Mg2Si: First Principles Calculations
Olusanmi Odeyemi	University of Benin (Benin)	Scientific Theme(s): Energy, Geo ,Functional June 2021 Poster: Effect of Sr - Transition Metal Substitution on Electronic and Mechanical Properties of Mg2Si: First Principles Calculations
Folorunso Ogundare	University of Ibadan (Nigeria)	Scientific Theme(s): Functional June 2021 Poster: Electronic structure of Mg, Ti and (Mg,Ti)-co doped LiF
Dr. Djidjoho Toussaint Oke Teacher - Researcher	Institute of Mathematics and Physic Sciences (IMSP) (Benin)	Scientific Theme(s): Many body June 2021 Poster: Dynamical Properties of Spin-Crossover Solids Within the Kinetic Spin-1 BEG Model in the Presence of a Time-Dependent Magnetic Field
Mustapha Lateef Olajuwon	University of Ibadan (Nigeria)	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Electronic and Magnetic Properties of Ga(Mn, X = O, H) N and their defects using ab-initio method
Mr. Emmanuel Olawale Graduate student	University of Ilorin, Nigeria (Nigeria)	June 2021
Dr. Akinola Olayinka Lecturer	Edo State University Uzairue (Nigeria)	June 2021 Poster: Effect of Sr - Transition Metal Substitution on Electronic and Mechanical Properties of Mg2Si: First Principles Calculations 1A. S. Olayinka , 2O. E. Odeyemi, 3T....
Dr. Olugbenga Oshakuade Lecturer	University of Ibadan, Ibadan, Nigeria (Nigeria) · Video Introduction	Scientific Theme(s): Functional June 2021 Poster: On the Determination of the Quantum Capacitance of Metal-Doped Graphene. O. M. Oshakuade - Department of Physics, University of Ibadan, Ibadan, Nigeria March 2021 Poster: Quantum Capacitance of Metal-Doped Graphene (ptx)
Lodvert Tchibota Poaty	Université Denis Sassou-N'guesso (Congo)	Scientific Theme(s): Surf/Mol, Magnetism
Prof. Amisi Safari Professor, Dean of the Faculty of sciences	Institut Supérieur Pédagogique de Bukavu (ISP/Bukavu) (Bukavu)	Scientific Theme(s): Functional June 2021 Talk: First-principles study of structural and vibrational properties of SrHfO3 Compared to SrZrO3 Poster: Ab initio investigation in PbZrO3 antiferroelectric : Structural and vibrational properties. Laboratoire de Physique des Solides et des Interfaces, Institut...
Felix Saouma	Kaimosi Friends University College (Kenya)	Scientific Theme(s): Excited June 2021 Poster: First Principle study of the optoelectronic, thermal and mechanical properties of the quaternary diamond-like semiconductors Li2ZnSnX4 (X=S, Se, Te).
James Sifuna Research fellow	The Catholic University of Eastern Africa (Kenya) · Video Introduction	Scientific Theme(s): Functional June 2021 Talk: Charged Domain Walls in Ferroelectric Thin Films Poster: Charged Domain Walls in Ferroelectric Thin Films
Hulda Swai ✱	The Nelson Mandela African Institution of Science and Technology (NM-AIST) (Tanzania)
Anne Thirika	Egerton University (Kenya)	Scientific Theme(s): Functional June 2021 Poster: Magnetic properties of FeMnPSe
Mr. Edward Tindibale PhD student	Egerton University- Kenya (Kenya)	June 2021
Jules Muya Tshishimbi	University of Kinshasa (Congo) · Video Introduction	Scientific Theme(s): Functional June 2021 Poster: Structure, stability and bonding of the leapfrog B240, ±1, ±2 (.doc) Jules Tshishimbi Muya 1, 2, 3, Bienfait Kabuyaya Isamura...
Berthelot Said Duvalier Ramlina Vamhindi	University of Maroua (Cameroon)	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Structure of Electronically Reduced Heteroleptic Four-Coordinate Zinc Complexes: DFT vs CASSCF Results.
Elicah Nafulu Wabululu	Catholic University of Eastern Africa (Kenya) · Video Introduction	Scientific Theme(s): Excited
Prof. Hisham Widatallah ✱ Professor	Sultan Qaboos University Physics Department, College of Science (Oman )
Dr. Richard Aranud YOSSA KAMSI Professor	University of Yaounde 1 (Cameroon)	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Electronic Structure, Spectroscopic (IR, Raman, UV-Vis, NMR), Optoelectronic, and NLO Properties Investigations of Rubescin E (C31H36O7) Molecule in Gas Phase...

Researchers in the US and Canada (91 people)

Name, by last name	Institution	Presentations
Dr. Amir Afshar Postdoctoral Research Associate	Brown University	June 2021
Dr. Xavier Andrade-Valencia Research scientist	Lawrence Berkeley National Laboratory/UC Berkeley	Scientific Theme(s): Excited June 2021 Talk: INQ: a state-of-the-art implementation... Poster: INQ: a state-of-the-art implementation of (time-dependent)...
Yaye Badjo	Florida A&M	March 2021 Poster: Studying Materials Under Extreme Conditions (ptx)
Paul Bagus	U North Texas
Michal Bajdich	Stanford/SLAC	March 2021 Poster: Computational Catalysis and Data-science for Sustainable...
Prof. Tunna Baruah Professor	The University of Texas at El Paso	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Self-interaction correction for improved description of...
Luca Bonaldo PhD student	Central Michigan University	Scientific Theme(s): Data/ML, Many body , methods June 2021 Poster: Solving ambiguities between theoretical data and...
Stanisnir Bonev	Lawrence Livermore National Laboratory
Lidia Carvalho Gomes Postdoctoral Researcher	University of Illinois at Urbana-Champaign · Video Introduction	Scientific Theme(s): Energy, Geo June 2021 Poster: Computational Discovery and Assessment of the... March 2021 Poster: High-Throughput Computational Discovery of Thermoelectric Materials (ptx)...
Dr. Maria Chan ✱ Scientist	Argonne National Laboratory
Andrés Cisneros	University of North Texas	March 2021 Poster: Cisneros Research group (ptx)
Dr. Valentino Cooper ✱ Section Head & Distinguished R. & D. Staff	Oak Ridge National Laboratory · Video Introduction	March 2021 Poster: First-principles based materials design and discovery (ptx)...
Isabel Craig	Lawrence Berkeley National Laboratory · Video Introduction	March 2021 Poster: Griffin Group - Theory of Quantum...
Dr. Thomas Cundari	University of North Texas
Ms. Karma Dema PhD student	The University of Texas at El Paso	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Molecular Magnetism and Quantum Theory (pdf)...
Prof. Robert DiStasio Assistant Professor	Cornell University	Scientific Theme(s): Excited June 2021 Talk: Enabling Linear Scaling Exact... Poster: Distasio Research Group March 2021
Dave Drabold	Ohio U · Video Introduction	March 2021 Poster: Computational research on glasses and amorphous...
Dr. Matthew Enjalran Professor and Department Chairperson, Physics	Southern Connecticut State University	June 2021
Prof. Elif Ertekin Associate Professor	University of Illinois at Urbana-Champaign · Video Introduction	Scientific Theme(s): Energy, Geo June 2021 Poster: Computational Discovery and Assessment of the... March 2021 Poster: High-Throughput Computational Discovery of Thermoelectric Materials (ptx)...
Dr Edwin Fohtung Associate Professor	Rennselaer Polytechnic Institute
Prof. Marci Fornari Professor	Central Michigan University · Video Introduction	Scientific Theme(s): Data/ML, Many body , methods June 2021 March 2021 Poster: Quantum computation to general structural models...
Laura Gagliardi	University of Minnesota
Giulia Galli	University of Chicago
Dr. Alexandru Georgescu Postdoctoral Scholar	Northwestern University · Video Introduction	Scientific Theme(s): Data/ML, Many body , methods June 2021 Talk: Machine Learning tools for... Poster: New Developments in the Study of...
Dr. Sinead Griffin Staff Scientist	Lawrence Berkeley National Laboratory/UC Berkeley	June 2021
Prof. Richard Hennig Professor of Materials Science and Engineering	University of Florida	Scientific Theme(s): Data/ML, Many body , methods June 2021 Talk: Ultra-fast and interpretable machine-learning... Poster: Ultra-fast and interpretable machine-learning of the...
Dr. Zahra Hooshmand Postdoctoral Researcher	The University of Texas at El Paso	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Poster: Molecular Magnetism and Quantum Theory (pdf)...
Dr. Matthew Horton ✱ Materials Project Staff, Materials Science Division	Lawrence Berkeley National Laboratory/UC Berkeley	June 2021 Talk: The Materials Project: Data,...
Ms. Anooja Jayaraj Doctoral candidate	University of North Texas	Scientific Theme(s): Data/ML, Many body , methods June 2021 Poster: Computational Material Science Discovery and Characterization.... March 2021 Poster: Marco Buongiorno Nardelli's group at the...
Alexander Johnson Master's student	The University of Texas at El Paso	Scientific Theme(s): • Molecular Magnetism and Quantum Theory (pdf) Poster presented by Zahra Hooshmand Gharehbagh,Karma Dema,Alexander I Johnson June 2021 Poster: Molecular Magnetism and Quantum Theory (pdf)...
Mr. Kisung Kang Graduate Research Assistant	University of Illinois at Urbana-Champaign · Video Introduction	Scientific Theme(s): QMC June 2021 Poster: Ab initio study of Heat Capacities...
Mr. Jesse Kapeghian Graduate Student/Research Assistant	Arizona State University	June 2021
Dr. Jinwoong Kim Postdoctoral researcher	Rutgers University	Scientific Theme(s): Functional June 2021 Poster: A proposal for determination of polarity...
Prof. Tim Kowalczyk Associate Professor	Western Washington University · Video Introduction	Scientific Theme(s): Excited June 2021 Poster: Exploring photoactive organic materials chemistry with... March 2021 Poster: Time-independent excited state electronic structure methods...
Dr. Aditi Krishnapriyan Postdoctoral Scholar	Lawrence Berkeley National Laboratory/UC Berkeley	Scientific Theme(s): Data/ML, Many body , methods June 2021 Talk: Machine learning with persistent... Poster: Machine learning with persistent homology and...
Harry LaBollita Graduate student	Arizona State University	Scientific Theme(s): Functional June 2021 Poster: Electronic structure of higher-order layered nickelates:...
Mr. Peter Lasode Teaching Assistant	The University of Texas at El Paso	June 2021
Deyu Lu	Brookhaven National Laboratory	March 2021 Poster: Welcome to the Center for Functional... Talk: Welcome to the Center for Functional...
Chenxing Luo PhD student	Columbia University	Scientific Theme(s): Energy, Geo June 2021 Poster: cij: A Python code for quasiharmonic...
Prof. Neepa Maitra ✱ Professor	Rutgers University at Newark · Video Introduction	Scientific Theme(s): Excited June 2021 Poster: Dynamics of Correlated Electrons, Ions, and...
Thomas Markland	Stanford/SLAC
Prof. Richard Martin Adjunct Professor	Stanford University · Video Introduction	June 2021 March 2021 Poster: Tutors, Mentors, and Peers (ptx)
Caroline McKeon Graduate student	University of California, Berkeley · Video Introduction	Scientific Theme(s): Functional June 2021 Poster: Research Overview
Prof. Vladimiro Mujica Professor	Arizona State University	June 2021 Talk: Spin-Polarized Electron Transfer Processes...
Jonah Nagura Pre-doctoral Student	University of Chicago · Video Introduction	Scientific Theme(s): Energy, Geo June 2021 Poster: Thermoelectric properties of full-heusler alloys:Effects of... March 2021 Poster: Electronic and optical excitations of 2D...
Marco Buongiorno Nardelli	U North Texas
Jeff Neaton	LBL
Ms. Tiffany Olivera Graduate student	Lawrence Berkeley National Laboratory	June 2021
Ravindra Pandey	Mich Tech U
Prof. Mark Pederson ✱ Professor and Chair, Department of Physics	The University of Texas at El Paso · Video Introduction	Scientific Theme(s): Surf/Mol, Magnetism June 2021 Talk: Molecular Magnets: Discovery from... Poster: Molecular Magnetism and Quantum Theory (pdf)... March 2021 Poster: Computational Chemical- and Condensed Matter Quantum...
Kristin Persson	UCB and LBNL	March 2021 Poster: Data-driven Materials Design using the Materials... Talk: Data-driven Materials Design using the Materials...
Elizabeth Peterson Graduate Student Research Assistant	UC Berkeley / Lawrence Berkeley National Laboratory · Video Introduction	Scientific Theme(s): Functional June 2021 Talk: First-principles study of exchange-induced... March 2021 Poster: Neaton Group - First Principles Calculations (ptx)...
Prof. Warren Pickett ✱ Professor of Physics	University of California, Davis	June 2021
Prof. Yuan Ping Associate Professor	University of California Santa Cruz	Scientific Theme(s): Functional June 2021 Talk: Ab-initio Ultrafast Spin Dynamics... Poster: Exciton and Spin Dynamics in Two-Dimensional...
David Prendergast ✱	Molecular Foundry,Berkeley Lab
Yundi Quan Postdoctoral Researcher	Berkeley Lab
Prof. John Rehr Professor of Physics Emeritus	University of Washington · Video Introduction	Scientific Theme(s): Excited June 2021 Talk: Theory and calculations of... Poster: Theory and calculations of excited state... March 2021 Poster: Theory of excited state electronic structure...
Mr. Selim Romero Graduate student	The University of Texas at El Paso	June 2021
James Rondinelli	Northwestern University	March 2021 Poster: Search for a new metal-insulator transition...
Prof. Brenda Rubenstein Joukowsky Family Assistant Professor of Chemistry	Brown University	Scientific Theme(s): QMC June 2021 Poster: Correlation in 2D Materials: Magnetism, Proximity...
Dr. Cuneyt Sahin Postdoctoral researcher	University of Iowa	June 2021
Mr. Pratik Sahu Graduate student	University of Missouri, Columbia	Scientific Theme(s): 2D June 2021 Poster: Effect of strain on the orbital...
Prof. Sashi Satpathy Professor	University of Missouri, Columbia	Scientific Theme(s): 2D June 2021 Poster: Effect of strain on the orbital... March 2021 Poster: US-Africa Initiative Workshop: Condensed Matter Theory...
Prof. Richard Scalettar ✱ Distinguished Professor	University of California, Davis · Video Introduction	Scientific Theme(s): Many body June 2021 Poster: Impact of Quenched Disorder on the...
Prof. Andre Schleife Associate Professor	University of Illinois at Urbana-Champaign · Video Introduction	Scientific Theme(s): Excited June 2021 Talk: Electron and ion dynamics... Poster: Electron and ion dynamics in materials... March 2021 Poster: Electronic excitations from first principles (pdf)...
Yihan Shao	U of Oklahoma	March 2021 Poster: Computational Chemistry: Applications, Theory, and Software (pdf)...
Sandeep Sharma	U of Colorado
James Shepherd	U Iowa
Dr. Sobhit Singh	Rutgers University · Video Introduction	March 2021 Poster: Ab-initio design of high-TC 2D superconductor:...
Dr. Yang Sun Associate Research Scientist	Columbia University	Scientific Theme(s): Energy, Geo June 2021 Talk: Fe-rich FeO compounds under... Poster: Fe-rich FeO compounds under Earth's core...
Dr. Xiuping Tao Associate Professor	Winston-Salem State University · Video Introduction	Scientific Theme(s): Surf/Mol, Magnetism June 2021 March 2021 Poster: 2D magnetism of CrI3 – how...
Dr. Mehmet Topsakal Associate Scientist	Brookhaven National Laboratory	Scientific Theme(s): Excited June 2021 Poster: High-energy, high-resolution X-ray diffraction capabilities at...
Sergei Tretiak	Los Alamos National Lab
Roxanne M'liss Tutchon	Los Alamos National Lab
Blas Uberuaga	Los Alamos National Lab
Peter Ufondu Graduate research assistant	The University of Texas at El Paso	June 2021
Professor Alexander Urban Assistant Professor	Columbia University Chemical Engineering
Mr. Prateek Vaish Graduate student	Brown University	June 2021
Prof. David Vanderbilt Professor	Rutgers University · Video Introduction	Scientific Theme(s): Functional June 2021 Poster: TBA March 2021 Poster: Vanderbilt group at Rutgers University (ptx)
Dr. John Vinson Staff Scientist	National Institute of Standards and Technology · Video Introduction	Scientific Theme(s): Excited June 2021 Poster: Calculating Optical and X-ray Spectra using... March 2021 Poster: Computational X-ray Spectroscopy Using OCEAN (pdf)
Prof. Lucas Wagner Assistant Professor	University of Illinois at Urbana-Champaign · Video Introduction	Scientific Theme(s): QMC June 2021 Talk: Excited states and effective... Poster: Excited states and effective models from... March 2021 Poster: Many-body quantum calculations and effective low-energy...
Ms. Lauren Walters Graduate student	Northwestern University	Scientific Theme(s): Data/ML, Many body , methods June 2021 Poster: Search for a new metal-insulator transition... March 2021 Poster: Opportunities in multifaceted design of metal-insulator...
Dr. Cai-Zhuang Wang Senior Scientist	Ames National Laboratory	June 2021 Talk: First-principles calculation of correlated... March 2021 Poster: Adaptive Genetic Algorithm for Materials Discovery... Talk: Adaptive Genetic Algorithm for Materials Discovery...
Prof. Renata Wentzcovitch Professor	Columbia University	June 2021 March 2021 Poster: Wentzcovitch Group (ptx)
Chris Wolverton	Northwestern University	March 2021 Poster: Wolverton Research Group at Northwestern Univ. (ptx)...
Dr. Yoh Yamamoto Research Assistant Professor	The University of Texas at El Paso	June 2021
Mr. Qi Zhang PhD student	Columbia University	Scientific Theme(s): Energy, Geo June 2021 Talk: express: nonstop calculations with... Poster: express: nonstop calculations with Quantum ESPRESSO... March 2021 Poster: Software Advances for Mineral Physics Applications...
Mr. Zhen Zhang Graduate student	Columbia University	Scientific Theme(s): Energy, Geo June 2021 Poster: Thermal Conductivity of CaSiO3 Perovskite at...
Jianxin Zhu	Los Alamos National Lab
Houlong Zhuang	Arizona State University
Jingyi Zhuang	Columbia University	March 2021 Poster: Computational Mineral Physics (ptx)