Focus Session: Computational Discovery and Design of New Materials for Energy Applications
FOCUS · C5 ·
Presentations
-
Computational materials design for energy applications
COFFEE_KLATCH · Invited
–
Authors
-
Vidvuds Ozolins
- Materials Sciences Engineering, UCLA
- UCLA
- Department of Materials Science and Engineering, UCLA
- Department of Materials Science and Engineering, University of California, Los Angeles, California 90095-1595, USA
-
-
Design and synthesis of a crystalline LiPON electrolyte
ORAL
–
Authors
-
N.A.W. Holzwarth
- Wake Forest University
- Wake Forest U.
-
Keerthi Senevirathne
- Wake Forest U.
-
Cynthia S. Day
- Wake Forest U.
-
Abdessadek Lachgar
- Wake Forest U.
-
Michael D. Gross
- Bucknell U.
-
-
Proton Diffusion Model for High-Throughput Calculations
ORAL
–
Authors
-
Pandu Wisesa
- Department of Materials Science and Engineering, Johns Hopkins University
-
Tim Mueller
- Department of Materials Science and Engineering, Johns Hopkins University
-
-
Atomistic level description of phase diagram of gas clathrate hydrates with complex gas compositions
ORAL
–
Authors
-
R. Belosludov
- IMR, Tohoku University
-
H. Mizuseki
- IMR, Tohoku University
-
Y. Kawazoe
- Institute for Materials Research, Tohoku University, Sendai 980-8577
- NIHC, Tohoku University
-
O. Subbotin
- Nikolaev Institute of Inorganic Chemistry, SB RAS
-
V. Belosludov
- Nikolaev Institute of Inorganic Chemistry, SB RAS
-
-
Materials for Alternative Energies: Computational Materials Discovery and Crystal Structure Prediction
COFFEE_KLATCH · Invited
–
Authors
-
Chris Wolverton
- Northwestern University
-
-
Multigap Semiconducting ferroelectric perovskites
ORAL
–
Authors
-
Lai Jiang
- University of Pennsylvania
-
Ilya Grinberg
- Department of Chemistry, University of Pennsylvania
- University of Pennsylvania
-
Fenggong Wang
- University of Pennsylvania
-
Peter Davies
- University of Pennsylvania
-
Andrew Rappe
- Department of Chemistry, University of Pennsylvania
- Makineni Theoretical Laboratories, Department of Chemistry, University of Pennsylvania
- University of Pennsylvania
-
-
Search for highly absorbing thin-film photovoltaic absorbers in the system Cu-V-VI from first principles calculations
ORAL
–
Authors
-
Liping Yu
- University of Colorado at Boulder/National Renewable Energy Laboratory
-
Robert S. Kokenyesi
- Oregon State University
-
Douglas A. Keszler
- Oregon State University
-
Alex Zunger
- University of Colorado at Boulder
-
-
Accurate surface ionization potentials and electron affinities of semiconductors and insulators, a step toward water splitting predictions
ORAL
–
Authors
-
Vladan Stevanovic
- Colorado School of Mines
-
Stephan Lany
- National Renewable Energy Laboratory
-
Alex Zunger
- University of Colorado Boulder
-
-
First principle studies of doping effects on the electronic and geometric structures of graphitic C3N4
ORAL
–
Authors
-
Sebastian Zuluaga
- University of Central Florida
-
Sergey Stolbov
- University of Central Florida
-
-
Stabilizing and enhancing activity of Ag as a catalyst for oxygen redaction reaction on hydrogen fuel cell cathodes
ORAL
–
Authors
-
Sergey Stolbov
- University of Central Florida
-
Marisol Alcantara Ortigoza
- University of Central Florida, Department of Physics, Orlando FL 32816-2385, USA
- University of Central Florida
-
-
Two dimensional N-containing carbon materials for oxygen reduction reaction
ORAL
–
Authors
-
Yexin Feng
- School of Physics, Nankai University
-
Zhenpeng Hu
- School of Physics, Nankai University
-
Lixin Zhang
- School of Physics, Nankai University
-