SEPTEMBER 21, 2022 Journal Article Near real time monitoring and forecasting for COVID-19 situational awareness ( Read More )
SEPTEMBER 21, 2022 Journal Article Understanding Metal-Organic Framework Nucleation from a Solution with Evolving Graphs ( Read More )
SEPTEMBER 21, 2022 Journal Article Do-calculus enables estimation of causal effects in partially observed biomolecular pathways ( Read More )
SEPTEMBER 21, 2022 Journal Article Computational Approaches for XANES, VtC-XES, and RIXS using Linear-Response Time-Dependent Density Functional Theory Based Methods ( 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 )
SEPTEMBER 21, 2022 Journal Article Real-time equation-of-motion CC cumulant and CC Green's function simulations of photoemission spectra of water and water dimer ( Read More )
SEPTEMBER 21, 2022 Journal Article Reduced photothermal heating in diamonds enriched with H3 point defects ( Read More )
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 Graph-Component Approach to Defect Identification in Large Atomistic Simulations ( 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 )