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Showing 1 to 5 of 5 for “"Ascent Dynamics"”.
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Ascent dynamics: an efficient algorithm probing long timescale dynamics
Submission published under a 24 month embargo labeled 'Closed Access', the embargo will last until 2024-05-01
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Convergence Rates of Gradient Descent-ascent Dynamics under Computation Constraints in Solving Min-max Optimization
… of the convergence rates of the Gradient Descent-ascent (GDA) method for solving the Min-max optimization (MMO) problems under computation constraints. In particular, we focus our study on two main classes of MMO: a continuous-time variant of the centralized Min-max problem where the GDA update …
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Investigation of rare events and slow dynamics in atomic and molecular liquids and glasses using ascent dynamics
Submission published under a 24 month embargo labeled 'Closed Access', the embargo will last until 2024-12-01
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Understanding long timescale phenomena in atomic systems from accelerated molecular simulation methods
Conventional molecular dynamics simulations have been proven instrumental to the understanding of material behaviors. However, the temporal constraints of molecular dynamics simulations have limited attempts to capture long timescale dynamics of material systems, such as phase transitions or …
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Towards Systematic Improvement of Density Functional Approximations
… development, we also develop a gentlest ascent dynamics approach for accessing the excited states via time-independent ground state density functionals. This is also useful for exploring Kohn-Sham energy landscapes of approximate density functionals. I will also review the PPLB …