Monday, March 4, 2024
3:00PM - 3:36PM
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D18.00001: Free Energy, Conformationa Dynamics and Simulations of Nanocrystals with Explicit Ligands
Invited Speaker:
Alex Travesset
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Monday, March 4, 2024
3:36PM - 3:48PM
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D18.00002: Evaluating approaches for on-the-fly machine-learning interatomic potentials for activated mechanisms sampling with ARTn
Eugene Sanscartier, Normand Mousseau
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Monday, March 4, 2024
3:48PM - 4:00PM
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D18.00003: Development of MLIP to model corrosion behavior in Molten Salt Reactors
Matthew D Bruenning, Ridwan Sakidja
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Monday, March 4, 2024
4:00PM - 4:36PM
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D18.00004: Machine learning assisted design of effective potentials, surface ligand patterns, and annealing protocols for colloidal self-assembly
Invited Speaker:
Gaurav Arya
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Monday, March 4, 2024
4:36PM - 4:48PM
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D18.00005: How to use stochastic devices in probabilistic calculations
Shashank Misra, Christopher R Allemang, Christopher D Arose, Brady G Taylor, Andre Dubovskiy, Ahmed Sidi El Valli, Laura Rehm, Andrew Haas, Andrew D Kent, Leslie C Bland, Suma G Cardwell, Darby Smith, James B Aimone
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Monday, March 4, 2024
4:48PM - 5:00PM
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D18.00006: First-principles machine-learning quantum dynamics at 0K in SrTiO3: light-induced ultrafast ferroelectric transition
Francesco Libbi, Lorenzo Monacelli, Anders Johansson, Boris Kozinsky
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Monday, March 4, 2024
5:00PM - 5:12PM
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D18.00007: Diverse training data generation for machine-learning interatomic potentials
Aparna P. A. Subramanyam, Danny Perez
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Monday, March 4, 2024
5:12PM - 5:24PM
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D18.00008: A machine learning interatomic potential for Ge-Te alloys
Tom Arbaugh, Owen Dunton, Francis W Starr
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Monday, March 4, 2024
5:24PM - 5:36PM
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D18.00009: Machine learned force and torque predictions for molecular dynamics of non-spherical colloids
Bahadir Rusen Argun, Antonia Statt
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Monday, March 4, 2024
5:36PM - 5:48PM
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D18.00010: Machine Learning Models for Partition Functions: Predicting Thermodynamic Properties and Exploring Transition Pathways
Caroline Desgranges, Jerome Delhommelle
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