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Daniel Jensen

Publications and source records attributed to Daniel Jensen.

3 recordsLinked to original sources

Fully Automatic Trace Gas Plume Detection

Future imaging spectrometers will expand contemporary data volumes by orders of magnitude, requiring automated methods to upscale labor-intensive detection of trace gas point sources. Here we present a fully-automated approach that achieves operational performance for plume detection and labelling without human participation. Our method combines machine learning (ML)-based morphological analysis with physics-based spectroscopic model fitting. We deploy it on data from the EMIT imaging spectrometer, operating in two modes. First, we present a "daily digest" that runs automatically on all downlinked data, flagging the largest events for immediate response. The daily digest demonstrates that a significant fraction of the largest plumes can be detected automatically with negligible false positives. This represents a significant new high-water mark in plume detection accuracy. Second, we use it for retrospective analysis to find plumes that were missed by the existing human review process. We observe that at least 25% of large plumes may have been passed over in the existing workflow due to confirmation bias and ambiguity in the visual cues used by human reviewers. Finally, we extend detection to three understudied trace gases: NH3, NO2 and the first observations of carbon monoxide (CO) plume in EMIT imagery.

cs.LG

Numerical Methods for the Inverse Problem of Density Functional Theory

The inverse problem of Kohn-Sham density functional theory (DFT) is often solved in an effort to benchmark and design approximate exchange-correlation potentials. The forward and inverse problems of DFT rely on the same equations but the numerical methods for solving each problem are substantially different. We examine both problems in this tutorial with a special emphasis on the algorithms and error analysis needed for solving the inverse problem. Two inversion methods based on partial differential equation constrained optimization and constrained variational ideas are introduced. We compare and contrast several different inversion methods applied to one-dimensional finite and periodic model systems.

physics.chem-ph

Fragment-based Time-dependent Density-functional Theory

Using the Runge-Gross theorem that establishes the foundation of Time-dependent Density Functional Theory (TDDFT) we prove that for a given electronic Hamiltonian, choice of initial state, and choice of fragmentation, there is a unique single-particle potential (dubbed time-dependent partition potential) which, when added to each of the pre-selected fragment potentials, forces the fragment densities to evolve in such a way that their sum equals the exact molecular density at all times. This uniqueness theorem suggests new ways of computing time-dependent properties of electronic systems via fragment-TDDFT calculations. We derive a formally exact relationship between the partition potential and the total density, and illustrate our approach on a simple model system for binary fragmentation in a laser field.

physics.chem-ph