Quantum handshake: How orbital overlap dictates molecular conductance

By placing single-atom-thick adlayers of p-block metals on commonly employed gold electrodes (d-block), a research team at National Taiwan University has successfully quantified the "interfacial ...
Morning Overview on MSN

Ultrafast light pulses drive molecule rotation on quantum materials

Scientists from Germany, Japan, and India have demonstrated that femtosecond laser pulses can force an entire layer of molecules to rotate in unison on a two-dimensional quantum material, a result ...
C&EN

Molecular Geometry of Vanadium Dichloride and Vanadium Trichloride: A Gas-Phase Electron Diffraction and Computational Study

† Materials Structure and Modeling Research Group of the Hungarian Academy of Sciences, Budapest University of Technology and Economics, P.O. Box 91, 1521 Budapest, Hungary ‡ Centre for Theoretical ...
IEEE

A New Heuristic Algorithm Based on Molecular Geometry Optimization and Its Application to the Integer Factorization Problem

Abstract: In this paper, the intractable problem of finding the prime factors of an integer has been represented as the integer programming problem to be solved using nature inspired heuristics.
IEEE

The impact of low-cost molecular geometry optimization in property prediction via graph neural network

Abstract: Machine-learning (ML) algorithms have demonstrated the potential to tackle several material science challenges, ranging from predicting quantum molecular properties to screening novel ...
C&EN

Molecular Geometry of Monomeric and Dimeric Yttrium Trichloride from Gas-Phase Electron Diffraction and Quantum Chemical Calculations

Structural Chemistry Research Group of the Hungarian Academy of Sciences, Eötvös University, Pf. 32, H-1518 Budapest, Hungary, Laboratoire de Physique Quantique UMR 5626, IRSAMC, Université Paul ...