APRIL 17, 2024 Report Exploring the Adoption Challenges of Post-Quantum Cryptography in EV Charging Infrastructure ( Read More )
APRIL 13, 2024 Journal Article Development and Application of Hybrid AIMD/cDFT Simulations for Atomic-to-Mesoscale Chemistry ( Read More )
APRIL 3, 2024 Journal Article Silicon-latticed-matched boron-doped gallium phosphide: A scalable acousto-optic platform ( Read More )
MARCH 30, 2024 Journal Article Probing Local Optical Fields via Ultralow Frequency Raman Scattering from a Corrugated Probe ( Read More )
MARCH 15, 2024 Journal Article Acceleration of Graph Neural Network-based Prediction Models in Chemistry via Co-design Optimization on Intelligence Processing Units ( Read More )
FEBRUARY 22, 2024 Journal Article Erratum Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported “first row anomaly” in XHn (X = C, Si, Ge, Sn; n = 1–4) [J. Chem. Phys. 156, 244303 (2022)] ( Read More )
FEBRUARY 20, 2024 Journal Article Accurate calculation of many-body energies in water clusters using a classical geometry-dependent induction model ( Read More )
FEBRUARY 16, 2024 Journal Article Subnanometer Visualization of Spatially Varying Local Field Resonances that Drive Tip-Enhanced Optical Spectroscopy ( Read More )
FEBRUARY 15, 2024 Conference Paper Q-BEEP: Quantum Bayesian Error Mitigation Employing Poisson Modeling over the Hamming Spectrum ( Read More )
FEBRUARY 15, 2024 Journal Article Triple excitations in Green's function coupled cluster solver for studies of strongly correlated systems in the framework of self-energy embedding theory ( Read More )
FEBRUARY 15, 2024 Journal Article Evaluating Uncertainty-Based Active Learning for Accelerating the Generalization of Molecular Property Prediction ( Read More )
FEBRUARY 15, 2024 Journal Article A Perspective on Sustainable Computational Chemistry Software Development and Integration ( Read More )
FEBRUARY 15, 2024 Journal Article Quantum-enhanced phase imaging without coincidence counting ( Read More )
FEBRUARY 15, 2024 Conference Paper Quantum Noise Mitigation: Introducing the Robust Quantum Circuit Scheduler for Enhanced Fidelity and Throughput ( Read More )
FEBRUARY 15, 2024 Conference Paper HQ-Sim: High-performance State Vector Simulation of Quantum Circuits on Heterogeneous HPC Systems ( Read More )
FEBRUARY 15, 2024 Conference Paper Efficient QAOA Optimization using Directed Restarts and Graph Lookup ( Read More )
FEBRUARY 15, 2024 Journal Article ECCE sensitivity studies for single hadron transverse single spin asymmetry measurements ( Read More )
FEBRUARY 15, 2024 Journal Article Binding of Radionuclides and Surrogate to 18-Crown-6 Ether by Density Functional Theory ( Read More )
FEBRUARY 15, 2024 Book Chapter Harness the power of atomistic modeling and deep learning in biofuel separation ( Read More )