Microsoft

Density Functional Theory

Advancing the frontier of quantum chemistry by combining deep learning with Density Functional Theory (DFT) to unlock unprecedented accuracy and scalability in electronic structure simulations. Skala, ...
GitHub

Improving Diffusion Models for Inverse Problems Using Optimal Posterior Covariance

Abstract: Recent diffusion models provide a promising zero-shot solution to noisy linear inverse problems without retraining for specific inverse problems. In this paper, we reveal that recent methods ...
IEEE

A Novel OFDM-FMCW Waveform for Low-Complexity Joint Sensing and Communication

Abstract: With the advent of 6th Generation (6G) wireless networks, integrating Orthogonal Frequency Division Multiplexing (OFDM) and Frequency Modulated Continuous Wave (FMCW) waveforms presents a ...
IEEE

The Discrete Fourier Transform Over the Binary Finite Field

Abstract: The novel methods for binary discrete Fourier transform (DFT) computation over the finite field have been proposed. The methods are based on a binary trace calculation over the finite field ...
C&EN

Coordination-Engineered Double-Atom Catalysts with Inverse Sandwich Structures for CO

Research Center for Quantum Physics and Technologies, School of Physical Science and Technology, Inner Mongolia University, Hohhot, 010021, China ...
C&EN

Synthesis, Characterization, In Silico DFT, Molecular Docking, and Dynamics Simulation Studies of Phenylhydrazono Phenoxyquinolones for Their Hypoglycemic Efficacy

Department of Chemistry, School of Advanced Sciences, Vellore Institute of Technology, Vellore 632014, Tamil Nadu, India ...