Academic Articles & Research Papers

Quantum computing and chemistry

As the year-to-year gains in speeds of classical computers continue to taper off, computational chemists are increasingly examining quantum computing as a possible route to achieve greater computational performance. Quantum computers, built...

Molecular spintronics and quantum computing

Molecular spintronics is a new and emergent sub-area of spintronics that can benefit from achievements in molecular electronics and molecular magnetism. This issue highlights the current trends and challenging goals of this area: from the d...

Potential of quantum computing for drug discovery

Quantum computing has rapidly advanced in recent years due to substantial development in both hardware and algorithms. These advances are carrying quantum computers closer to their impending commercial utility. Drug discovery is a promising...

On the controllability of distributed systems

To "control" a system is to make it behave (hopefully) according to our "wishes," in a way compatible with safety and ethics, at the least possible cost. The systems considered here are distributed-i.e., governed (modeled) by partial differ...

The Graph Neural Network Model

Many underlying relationships among data in several areas of science and engineering, e.g., computer vision, molecular chemistry, molecular biology, pattern recognition, and data mining, can be represented in terms of graphs. In this paper,...

A High-Resolution Rotational Analysis of 2‑Chloroethanol (HOCH(2)CH(2)Cl) and Its First Vibrationally Excited State.

An Ion-Neutral Reaction to Form Cyanobenzene and Ethynylbenzene in Titan's Atmosphere.

Chemical and Orbital Signatures of Three Hypervelocity Stars: Constraints on the Origins

We present a chemodynamical analysis of three hypervelocity stars (HVS) selected from the Large Sky Area Multi-Object Fiber Spectroscopic Telescope medium-resolution spectroscopic survey and Gaia. The high-resolution follow-up observation w...

Nuclear astrophysics

Nuclear astrophysics is that branch of astrophysics which helps understanding some of the many facets of the Universe through the knowledge of the microcosm of the atomic nucleus. In the last decades much advance has been made in nuclear as...

How Progressive Hydrogenation Shapes the Optical Response of Carbon Clusters.

The Rich Chemistry of Ionized Methanol With Sulfur Dioxide: Pathways to Prebiotic and Elusive Species in Earth's Atmosphere and Space.

Effects of long-term exposure to air pollutant mixture on blood pressure in typical areas of North China

Background: Studies about the combined effects of gaseous air pollutants and particulate matters are still rare. Objectives: This study was performed based on baseline survey of the Diverse Life-Course Cohort in the Beijing-Tianjin-Hebei (B...

Probability and Statistics for Engineers and Scientists

The new edition of Anthony Hayter's book continues in the same student-oriented vein that has made previous editions successful. Because Tony Hayter teaches and conducts research at a premier engineering school, he is in touch with engineer...

Utility of Bone Marrow Cell Block in the Diagnosis of Haematological Disorders: A Cross-sectional Study

Introduction: The examination of Bone Marrow Aspirate (BMA) smears and Biopsies (BMBx) are well established in the diagnosis of various haematological and non-haematological disorders. While both techniques have unique advantages over the o...

Oxidation‐etching induced morphology regulation of Cu catalysts for high‐performance electrochemical N2 reduction

Abstract Renewable‐electricity‐driven N2 reduction is an attractive approach for ambient NH3 synthesis, but active electrocatalysts are needed to enable the N2 reduction reaction. Monolithic electrodes with active components anchored on con...

Sustainable clove-derived nitrogen-doped carbon dots with programmable multimodal fluorescence for metal ion and fluoride sensing

The development of sustainable fluorescent nanomaterials from renewable biomass represents a promising strategy for environmentally benign chemical sensing. In this work, nitrogen-doped carbon dots (N-CDs) were synthesized from clove biomas...

Laser-induced porous graphene electrodes from polyketimine membranes for paracetamol sensing

The development of cost-effective materials for fabricating electrodes is crucial for drug, pharmaceutical and environmental applications. This paper presents the synthesis and characterization of a novel polyketimine (PKI) membrane obtaine...

Lipid peroxidation and DNA oxidation caused by dental filling materials

Background/purpose: The two direct dental restorative materials most commonly used today are silver-mercury amalgam and resin-based composites. The purpose of this study was to examine the effects of these two restorative materials and subs...

Liquid lithium wettability studies on novel zirconium-alloyed porous tungsten

Liquid lithium wettability has been investigated on novel zirconium-alloyed porous tungsten fabricated by the place-holder spark plasma sintering technique. This paper investigates the wetting properties of liquid lithium on the substrates ...

Interpretable and Explainable Machine Learning for Materials Science and Chemistry

High Resolution Image Download MS PowerPoint Slide Conspectus Machine learning has become a common and powerful tool in materials research. As more data become available, with the use of high-performance computing and high-throughput experi...