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Quantum Monte Carlo Library Achieves Highly Accurate Electronic Structure Calculations
1+ day, 2+ hour ago This research delivers a new software library, QMCkl, that significantly accelerates electronic structure calculations by providing portable, high-performance computational building blocks for a range of scientific applications, ensuring consistent and reproducible results across different computer systems. https://quantumzeitgeist.com/wp-content/uploads/Image_fx-94-3.jpg Quantum Monte Carlo…...
Sample-based Quantum Diagonalization Enables Efficient LASSCF Calculations Of Complex Molecules
1+ day, 21+ hour ago Researchers have developed a new computational method that combines advanced sampling techniques with established quantum calculations to accurately model complex materials, enabling the study of systems previously too large for detailed analysis and achieving results comparable to more intensive calculations....
2d Materials Synthesis Via Nano-Confinement Creates Tailored Monolayers And Janus Structures
2+ day, 1+ hour ago By using a protective layer during growth, researchers successfully created and patterned single-layer materials with precisely controlled structures and exceptionally clean interfaces, even preserving the delicate superconducting properties of one such material. https://quantumzeitgeist.com/wp-content/uploads/Image_fx-48-8.jpg The quest for precisely-structured two-dimensional materials has…...
Two-dimensional Noble Metals Enable 5% More Flexible Electronics Via Kagome Topology
2+ day, 2+ hour ago Researchers demonstrate that atomically thin layers of copper, silver, and gold, arranged in a specific triangular pattern, can be stabilized with stretching, revealing how material choice and applied strain govern the behaviour of these novel metallic structures. https://quantumzeitgeist.com/wp-content/uploads/Image_fx-46-10.jpg The search…...
Chemical Engineering Enables Altermagnetism In Two-Dimensional Metal-Organic Frameworks
3+ day, 2+ hour ago Researchers have created new two-dimensional materials where electron spin is split not by magnetism itself, but by the arrangement of atoms within the material's structure, potentially leading to more efficient conversion of charge into spin for advanced electronic devices. https://quantumzeitgeist.com/wp-content/uploads/Capture-799.jpg…...
Accurate Carbon Dioxide Line Lists With 12 Isotopologues Enable Improved Radiative Transfer Codes
3+ day, 4+ hour ago Quantum Zeitgeist is a leading independent news source covering quantum computing breakthroughs, industry developments, and research advances. Established in 2018, we provide daily analysis of quantum technology's impact on computing, cryptography, and scientific innovation. Understanding the composition of exoplanetary atmospheres requires…...
Quantum Hardware Enables Complex NMR Spectroscopy Simulation
3+ day, 11+ hour ago Researchers successfully simulate the complex magnetic properties of molecules containing up to 34 atomic nuclei, exceeding the practical limits of conventional computing and paving the way for improved design of new materials and drugs. https://quantumzeitgeist.com/wp-content/uploads/Capture-787.jpg Quantum Simulation of NMR Free Induction…...
Hybrid Quantum-Classical Methods Enable Molecular Ground State Preparation Beyond Current Devices
3+ day, 13+ hour ago Researchers have developed a new quantum computing method, G-AQC-PQC, that improves the accuracy and efficiency of simulating molecular structures by combining adiabatic principles with a streamlined optimisation process, offering a promising pathway towards solving complex chemistry problems currently beyond the…...
Quanvolutional Neural Networks Achieve Multi-Task Peak-Finding For Complex Molecular Spectra
4+ day, 12+ hour ago Inspired by advances in artificial intelligence, researchers have developed a new type of neural network that more accurately identifies and quantifies peaks in complex molecular spectra, offering an eleven percent improvement in accuracy and a thirty percent reduction in error…...
Automated Drug Discovery Advances With AI-Driven Synthesis Of 905,990 Reactions
4+ day, 13+ hour ago Researchers have created a system, QFANG, that automatically generates detailed, step-by-step laboratory procedures directly from chemical equations, significantly improving the potential for fully automated drug discovery and chemical synthesis. https://quantumzeitgeist.com/wp-content/uploads/Capture-715.jpg Automated planning of chemical synthesis remains a significant hurdle in…...
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