Magnetic field during catalyst synthesis triples ammonia yield

Applying an external magnetic field during the synthesis of CoFe2O4 electrocatalysts triples the ammonia yield during ...
Interesting Engineering on MSN

Stretchable hydrogel generator delivers stable power after 8,000 bending cycles

Researchers in China have developed a fully stretchable moisture-powered generator designed to keep wearable ...
Semiconductor Engineering

Beyond Ideal Crystals: The Case For Scale In Atomistic Modeling

Temperature adds another challenge. Standard DFT is essentially a zero-temperature approach, so thermal effects must be ...
Oak Ridge National Lab

Collection: TD-DFT and EOM-CCSD Calculations for the GDB-9-Ex Dataset

We present two datasets that contain quantum chemical electronic structure calculations for organic molecules from the GDB-9-Ex dataset. The “GDB-9-Ex_TD-DFT-PBE0” dataset contains calculations ...
IEEE

High Precision, Low Complexity, and Fast Calculation Based on Hybrid Recursive DFT and FFT Algorithms for Electrochemical Impedance Spectroscopy System

Abstract: This study presents a novel hybrid algorithm merging recursive discrete Fourier transform (RDFT) and fast Fourier transform (FFT) to meet the demands of electrochemical impedance ...
Scientific Research Publishing

Spectroscopic Electrochemical Properties and DFT Calculation of 1-Aryltriazenes ()

1 Organic Chemistry Coordination Laboratory, Cheikh Anta Diop University of Dakar, Dakar-Fann, Senegal. 2 Organic Chemistry and Therapeutic Chemistry Laboratory, Cheikh Anta Diop University of Dakar, ...
IEEE

Simultaneous Calculation of DFT and IDFT of Real Two-Dimensional Sequences and Its Application in Digital Image Watermark

Abstract: This paper firstly discusses some properties of two-dimensional discrete Fourier transform (DFT), and then by exploiting a single two-dimensional DFT, several new direct formulas of ...
Phys.org

The world's largest quantum chemistry dataset to empower new materials design and drug discovery

Predicting the properties of an object is a most natural task for machine learning (ML) algorithms, and molecules or crystals are not an exception. Every drug discovery or materials design pipeline ...