Tuesday, March 15, 2022
3:00PM - 3:12PM
|
|
K47.00001: Guided design of alloys, strengthened via precipitation
Nikolai A Zarkevich
|
Tuesday, March 15, 2022
3:12PM - 3:24PM
|
|
K47.00002: Towards Accurate and Efficient Predictions of Martensitic Transition Temperatures for Shape Memory Alloys from First Principles
Zhigang Wu, Hessam Malmir, John Lawson
|
Tuesday, March 15, 2022
3:24PM - 3:36PM
|
|
K47.00003: Electronic analysis of sigma phase destabilization in a family of compositionally complex ferritic stainless steel substitutes.
Anna Soper, Savanah Diaz, Holly Frank, Jonas Kaufman, Adam Shaw, Kevin Laws, Lori Bassman, Aurora Pribram-Jones
|
Tuesday, March 15, 2022
3:36PM - 3:48PM
|
|
K47.00004: Role of alloying on tunability of martensitic phase transformation in multi-principal element alloys
Prashant Singh, Sezer Picak, Aayush Sharma, YI Chumlyakov, Raymundo Arroyave, Ibrahim Karaman, Duane D Johnson
|
Tuesday, March 15, 2022
3:48PM - 4:00PM
|
|
K47.00005: Mechanisms of CO2and H2O co-adsorption in pyrazine-linked hybrid ultramicroporous materials
Saif Ullah, Kui Tan, Timo Thonhauser
|
Tuesday, March 15, 2022
4:00PM - 4:12PM
|
|
K47.00006: Tuning molecular adsorption in metal-organic frameworks through coadsorption and temperature-dependent diffusion barriers
Timo Thonhauser, Saif Ullah, Eric Chapman, Kui Tan
|
Tuesday, March 15, 2022
4:12PM - 4:24PM
|
|
K47.00007: Impact of defects and charge doping on O2 binding in the metal-organic framework Fe2(bdp)3 from first principles
Alex Smith, Kaitlyn Engler, Kennedy McCone, Lena Funke, Jeffrey Long, Jeffrey B Neaton
|
Tuesday, March 15, 2022
4:24PM - 4:36PM
|
|
K47.00008: Defect Termination in the UiO-66 Family of Metal–Organic Frameworks: The Role of Water and Modulator
Haardik Pandey, Kui Tan, Timo Thonhauser
|
Tuesday, March 15, 2022
4:36PM - 5:12PM
|
|
K47.00009: Data-driven materials discovery for the solar production of hydrogen
Invited Speaker:
Ismaila Dabo
|
Tuesday, March 15, 2022
5:12PM - 5:24PM
|
|
K47.00010: AI-driven study of carbon-dioxide activation on semiconductor oxides.
Aliaksei Mazheika, Yanggang Wang, Rosendo Valero, Francesc Viñes, Francesc Illas, Luca M Ghiringhelli, Sergey V Levchenko, Matthias Scheffler
|
Tuesday, March 15, 2022
5:24PM - 5:36PM
|
|
K47.00011: Electrochemical Potential of the Metal Organic Framework MIL-101(Fe) as Cathode Material in Li-Ion Batteries
Bernardo Barbiellini, Fatemeh Keshavarz, Marius Kadek, Arun Bansil
|
Tuesday, March 15, 2022
5:36PM - 5:48PM
|
|
K47.00012: Computational Design and Validation of Polymer Membranes with high CO2 Permeability
Hsianghan Hsu, Ronaldo Giro, Akihiro Kishimoto, Lisa Hamada, Seiji Takeda, Mathias B Steiner
|
