Back to Virtual Electronic Structure Workshop
3 June 2020
Click on the poster title to view the abstract. During the poster session, click the Zoom link to speak to the presenter. If a video or slides link is present, you can also look at that. The Zoom links all have a password set, as stated in the emails to all registered participants. Note that for those presenters using free Zoom accounts, the meeting may end after 40 minutes, in which case the presenter will restart it, and you can rejoin with the same link. Some presenters have not been able to create Zoom accounts/meetings, in which case they may join the open networking sessions listed at the end of each poster session.
Poster Session I: 10:30 am-11:30 am PDT (17:30-18:30 GMT)
| Name | Institution | Poster Title | Zoom Link | Video/Slides |
| Bradford Barker | University of California, Merced, USA |
The Spin-Flip Bethe-Salpeter Equation approach, and applications to molecules and defects in solids |
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| Beatriz Cogollo | Universidad de Cartagena, Colombia |
Redefining the phase diagram of carbon dioxide within the quasi-harmonic approximation |
Zoom | video |
| Mihir Ranjan Sahoo | Indian Institute of Technology Bhubaneswar, India |
Magnetic Phase transition of Mn dimer on graphene doped h-BN through external electric field |
Zoom | |
| Kalyani Chordiya |
ELI-ALPS, Hungary |
Insights on photo-ionization of Uracil and its tautomers: Using Non-Dyson ADC(3) approach |
Zoom | video |
| Enrique Guerrero | University of California, Merced, USA |
Computational generation of voids in a-Si and a-Si:H by cavitation at low density |
Zoom | slides |
| Jean Baptiste Fankam Fankam | University of Yaounde I, Cameroon | |||
| Uthpala Herath | West Virginia University, USA |
PyProcar: A Python library for electronic structure pre/post-processing |
Zoom | video |
| Md. Mehdi Masud | University of California, Merced, USA | Zoom | ||
| Chandler Bennett | Oak Ridge National Laboratory, USA |
Origin of Metal–Insulator Transition of n-doped ABO3 Perovskite Metals |
Zoom | |
| Bernard Donfack | University of Dschang, Cameroon | Zoom | poster | |
| Amisi Safari |
Institut Supérieur Pédagogique de Bukavu/DR Congo |
First-principles study of structural and vibrational properties of SrHfO3 compared to SrZrO3 |
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| Ezekiel Oyeniyi | University of Ibadan, Nigeria |
Efficient determination of excitation energies and absorption spectra of nanoclusters |
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| Perpetua Chemaoi | Kabarak University, Kenya |
Electronic structure properties of tin halides perovskite |
Zoom | slides |
| Rene Costa |
Nelson Mandela African Institution of Science and Technology-(NM-AIST), Tanzania |
Zoom | video, slides | |
| Laura Weiler | University of Iowa, USA |
Frozen core coupled cluster calculations on finite electron gases |
Zoom | video, slides |
| Meriem Bouhbou | Université Hassan II de Casablanca, Morocco | Zoom | poster | |
| Li, Chantis, Xu, Kancharla | Physical Review journals | Meet the Physical Review editors | Zoom | |
| - | - | Open session for virtual networking | Zoom |
Poster Session II: 11:30 am-12:30 pm PDT (18:30-19:30 GMT)
| Name | Institution | Poster Title | Zoom Link | Video/Slides |
| Abhisek Ghosal |
Indian Institute of Science Education and Research, Kolkata, India |
A self-consistent systematic optimization of range-separated hybrid functionals from first principle |
Zoom | video |
| Nabaraj Pokhrel | University of California, Merced, USA |
Ferroelectric switching in Aurivillius phase oxides from first principles |
Zoom | |
| Seyfan Kelil | Addis Ababa University, Ethiopia | |||
| Edward Tindibale | Egerton University, Kenya |
Investigation of Ion Migration in Methyl ammonium Lead Iodide Perovskites by Molecular Dynamics |
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| Vianney Tuyikeze |
HASSAN II University of Casablanca, Morocco |
Ab initio study of structural, electronic and optical properties of the perovskite CeFeO3 compound | ||
| Jonah Nagura |
University of Ibadan, Ibadan, Nigeria |
GW Quasiparticle bandgaps of CsCdCl3 perovskites |
Zoom | slides |
| Xiaoxiong Liu | University of Zurich, Switzerland |
Wannier Interpolation of the Covariant Derivative of Berry Curvature and Orbital Moment |
Zoom | |
| Paul Adebambo |
Federal University of Agriculture Abeokuta, Nigeria |
Zoom | video | |
| Sara Abdelazeem Hassan Abass |
University of Khartoum, Sudan |
Density Functional Theory investigation of H2Ti3O7 and Na2Ti3O7 for Energy Applications |
link | |
| Rijan Karkee | University of California, Merced, USA |
Structural studies of Ni-doped MoS2 monolayers and polytypes using density functional theory |
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| Teshome Gerbaba Edossa | Wollega University, Ethiopia |
Study Of Electronic and Structural Properties of CdS in zinc-blend and Wurtizite Phase using DFT and DFT+U. |
poster | |
| Md. Mozahar Ali | BRAC University, Bangladesh | A theoretical study on physical properties of Ti2InB2 belonging to a new 212 sub-family of MAX phases | Zoom | video, slides |
| Hayley Petras | University of Iowa, USA | Zoom | video, slides | |
| Kisung Kang |
University of Illinois at Urbana-Champaign, USA |
First-Principles Study of Magnetocrystalline Anisotropy in Antiferromagnetic Fe2As |
Zoom | video, slides |
| Juha Tiihonen |
Oak Ridge National Laboratory, USA |
Zoom | slides | |
| Sobhit Singh | Rutgers University, USA |
Determination of polarity orientation in polar metals via nonlinear Hall response |
Zoom | video |
| Tina Mihm | University of Iowa, USA | Zoom | video, slides | |
| Kuntal Talit | University of California, Merced, USA |
Stress effects on vibrational spectra of orthorhombic and tetragonal hybrid perovskites |
Zoom | |
| - | - | Open session for virtual networking | link |
