Wednesday, March 7, 2018
2:30PM - 2:42PM
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P18.00001: Low-Scaling MP2 for Solids
Tobias Schaefer, Georg Kresse
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Wednesday, March 7, 2018
2:42PM - 2:54PM
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P18.00002: Independent Operators for Interacting Electrons
Roger Haydock
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Wednesday, March 7, 2018
2:54PM - 3:06PM
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P18.00003: On the question of the total energy in FLO-SIC calculations
Kushantha Withanage, Kai Trepte, Koblar Jackson, Juan Peralta
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Wednesday, March 7, 2018
3:06PM - 3:18PM
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P18.00004: Localized and Randomized Algorithms for Electronic Structure
Jonathan Moussa, Andrew Baczewski
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Wednesday, March 7, 2018
3:18PM - 3:30PM
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P18.00005: Accurate simulation of weakly-Bound Dipole Anions
Can Ataca, Hongxia Hao, Brenda Rubenstein
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Wednesday, March 7, 2018
3:30PM - 3:42PM
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P18.00006: Quantum Optimal Control of Interacting Multi-Rotor Systems
Alicia Magann, Linhan Chen, Tak-San Ho, Herschel Rabitz
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Wednesday, March 7, 2018
3:42PM - 3:54PM
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P18.00007: Bayesian Calibration assisted by Markov Chain Monte Carlo sampling of parameter space of J and U values in DFT+U: Applications for Fe, Mn and Cu based compounds
Pedram Tavadze, Thomas Harris, David Mebane, Aldo Romero
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Wednesday, March 7, 2018
3:54PM - 4:06PM
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P18.00008: Relative Energies and Electronic Structure of CoO Polymorphs Through ab-Initio Diffusion Quantum Monte Carlo Method
Kayahan Saritas, Jaron Krogel, Fernando Reboredo
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Wednesday, March 7, 2018
4:06PM - 4:18PM
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P18.00009: Time Step Bias Improvement in Fixed-Node Diffusion Monte Carlo : a Size Consistent and System Independent Solution
Ye Luo
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Wednesday, March 7, 2018
4:18PM - 4:30PM
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P18.00010: Magnetic Moment of particles at finite temperature and density
Samina Masood
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Wednesday, March 7, 2018
4:30PM - 4:42PM
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P18.00011: Strong-Coupling Model for Pulsed Light Propagation and Quantum Kinetics of Driven Electron-Hole Plasma in Quantum Wires
Danhong Huang, Jeremy Gulley
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Wednesday, March 7, 2018
4:42PM - 4:54PM
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P18.00012: Magnetic Exchange Couplings from Fermi-Löwdin Orbital Self-Interaction Corrected Density Functional Approximations
Rajendra Joshi, Kushantha Withanage, Kai Trepte, Koblar Jackson, Juan Peralta
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Wednesday, March 7, 2018
4:54PM - 5:06PM
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P18.00013: Analytic Interatomic Forces in the Random Phase Approximation
Benjamin Ramberger, Georg Kresse
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Wednesday, March 7, 2018
5:06PM - 5:18PM
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P18.00014: Applying Distortion Symmetries to the Calculation of Minimum Energy Pathways in Ferroelectric Switching
Jason Munro, Haricharan Padmanabhan, Vincent Liu, Long-Qing Chen, Brian VanLeeuwen, H. Akamatsu, Venkatraman Gopalan, Ismaila Dabo
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Wednesday, March 7, 2018
5:18PM - 5:30PM
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P18.00015: Gaussian process based optimization of molecules and solids using noisy energy surfaces from Quantum Monte Carlo
Paul Kent, Andreas Tillack, Richard Archibald
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