SEPTEMBER 21, 2022 Journal Article Implementation and validation of constrained density functional theory forces in the CP2K package ( Read More )
SEPTEMBER 21, 2022 Journal Article Evaluating Performance of Different Generative Adversarial Networks for Large-Scale Building Power Demand Prediction ( Read More )
SEPTEMBER 21, 2022 Journal Article Preparing for the next pandemic via transfer learning from existing diseases with hierarchical multi-modal BERT: a study on COVID-19 outcome prediction ( Read More )
JULY 8, 2022 Journal Article Differentiable Predictive Control: Deep Learning Alternative to Explicit Model Predictive Control for Unknown Nonlinear Systems ( Read More )
JUNE 5, 2022 Report Synthetic Data and Graph Generation for Modeling Adversarial Activity – Final Project Report ( Read More )
MAY 24, 2022 Journal Article Guanosine Dianions Hydrated by One to Four Water Molecules ( Read More )
MAY 10, 2022 Journal Article Advanced theory and simulation to guide the development of CO2 capture solvents ( Read More )
APRIL 16, 2022 Journal Article Disordered, Sub-Nanometer Ru Structures on CeO2 are Highly Efficient and Selective Catalysts in Polymer Upcycling by Hydrogenolysis ( Read More )
APRIL 13, 2022 Journal Article Particle-based hematite crystallization is invariant to initial particle morphology ( Read More )
APRIL 9, 2022 Journal Article Isotope effects on the structural transformation and relaxation of deeply supercooled water ( Read More )
APRIL 8, 2022 Conference Paper Scalable Approaches to Selecting Key Entities in Large Networked Infrastructure Systems ( Read More )
APRIL 8, 2022 Conference Paper WinnowML: Stable feature selection for maximizing prediction accuracy of time-based system modeling ( Read More )
APRIL 1, 2022 Journal Article Electron and hole mobilities in bulk hematite from spin-constrained density functional theory ( Read More )
MARCH 26, 2022 Journal Article Explaining the Structure Sensitivity of Pt and Rh for Aqueous-Phase Hydrogenation of Phenol ( Read More )
MARCH 25, 2022 Journal Article Modeling the economic and environmental impacts of land scarcity under deep uncertainty ( Read More )
MARCH 9, 2022 Journal Article Equatorial Electronic Structure in the Uranyl Ion: Cs2UO2Cl4 and Cs2UO2Br4 ( Read More )
FEBRUARY 27, 2022 Journal Article Correlating Interfacial Charge Transfer Rates with Interfacial Molecular Structure in the Tetraphenyldibenzoperiflanthene/C70 Organic Photovoltaic System ( Read More )