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NOVEMBER 18, 2024 Report Developing Capabilities in Physical and Computational Sciences ( Read More )
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SEPTEMBER 19, 2024 Journal Article Exploiting a derivative discontinuity estimate for accurate G0W0 ionization potentials and electron affinities ( Read More )
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AUGUST 15, 2024 Report PNNL CRADA No. 491, Amendment 1 with Prometheus Innovations, LLC ( Read More )
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AUGUST 1, 2024 Journal Article Feasibility study for test rig assessments of fish passage conditions in a Kaplan turbine ( Read More )
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JULY 26, 2024 Journal Article Role of Surface Features on the Initial Dissolution of CH3NH3PbI3 Perovskite in Liquid Water: An Ab Initio Molecular Dynamics Study ( Read More )
MAY 10, 2024 Journal Article First principles simulations of MgO (100) surface hydration at ambient conditions ( Read More )
APRIL 30, 2024 Conference Paper FASDA: An FPGA-Aided, Scalable and Distributed Accelerator for Range-Limited Molecular Dynamics ( Read More )