Friday, March 19, 2021
8:00AM - 8:36AM
Live
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X19.00001: Addressing electrified metal-electrolyte interfaces with Non-Equilibrium Green's Functions
Invited Speaker:
Pablo Ordejon
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Friday, March 19, 2021
8:36AM - 8:48AM
Live
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X19.00002: Demystifying the Stern layer at metal-electrolyte interface: Local dielectric constant, ion adsorption and partial charge transfer
Xuepeng Wang, Jianzhong Wu
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Friday, March 19, 2021
8:48AM - 9:00AM
Live
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X19.00003: Coulomb Screening Effects on Solvated Ions
Alec Wills, Marivi Fernandez-Serra
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Friday, March 19, 2021
9:00AM - 9:36AM
Live
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X19.00004: First-principles electrochemistry with grand-canonical DFT and continuum-solvation methods
Invited Speaker:
Ravishankar Sundararaman
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Friday, March 19, 2021
9:36AM - 9:48AM
Live
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X19.00005: Polarizable Classical Force Field to Describe the Water/Metal Interfaces in QM/MM Simulations of Electrochemical Interfaces
Márcio Gomes-Filho, Aline Olimpio Pereira, Luana Pedroza, Gustavo T. Feliciano, Maurício D. Coutinho-Neto
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Friday, March 19, 2021
9:48AM - 10:00AM
Live
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X19.00006: Photogenerated electron-hole charge separation in oxide perovskite [001] surfaces
Vidushi Sharma, Benjamin Bein, Amanda Lai, Betul Pamuk, Marivi Fernandez-Serra, Matthew Dawber
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Friday, March 19, 2021
10:00AM - 10:12AM
Live
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X19.00007: First principles molecular dynamics of electrified silicon/water interfaces
Zifan Ye, Aleksander Prominski, Bozhi Tian, Giulia Galli
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Friday, March 19, 2021
10:12AM - 10:24AM
Live
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X19.00008: Analytical form for polarization induced self-energy for ions in solution near rough substrates.
Francisco Solis
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Friday, March 19, 2021
10:24AM - 10:36AM
Live
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X19.00009: Electrostatic wetting transition: charge inversion and like charge attraction
Nikhil Agrawal, Rui Wang
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Friday, March 19, 2021
10:36AM - 10:48AM
Not Participating
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X19.00010: Metastability Triggered Reactivity in Clusters at Realistic Conditions: A Case Study of N-doped (TiO2)n for water splitting
Shikha Saini, Saswata Bhattacharya
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