Quantum Chemistry– tag –
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Chalmers Pushes Automated Machine Learning for Breakthroughs in Computational Chemistry and Materials Science
Chalmers University of Technology (AIMLeNS) スウェーデン Overview A recent AI4Science seminar at Chalmers University of Technology underscored the transformative impact of machine learning (ML) on computational chemistry and materials re... -
Cen-Online.org Details Breakthroughs and Industrial Applications in Catalyst Discovery Driven by Digital Tools and AI
Cen-Online.org Unknown Overview Cen-Online.org's article details recent advancements in catalysis and their industrial applications, highlighting how digital tools and AI are transforming catalyst discovery. Computational chemistry, mach... -
Machine Learning Potentials Accelerate Quantum Chemistry by Up to 1 Million-Fold, Revolutionizing Materials Science
ACS Central Science USA Overview Rapid advancements in machine learning interatomic potentials (MLIPs) are poised to accelerate quantum chemistry calculations by up to a million times, fundamentally transforming chemical and materials sc... -
D-Wave Develops Gate-Model Quantum Computing Platform, Expanding R&D Scope in Quantum Chemistry and Materials Science
D-Wave Canada Overview D-Wave is advancing its gate-model quantum computing platform to expand the range of problems organizations can explore, including quantum chemistry, molecular R&D, materials, catalysts, and energy systems. The... -
ACS Publications Reveals MACE-QEq Potential, Addressing MLIP Challenges in Long-Range Electrostatics and Charge Transfer, Boosting Accuracy for ZnO and Water Systems
Journal of Chemical Theory and Computation (ACS Publications) USA Overview This research augments the equivariant Multi-Atomic Cluster Expansion (MACE) potential with a charge equilibration (QEq) framework to address challenges in machin... -
AWS and QuEra to Deploy Megaquop-Scale ‘Libra’ on Amazon Braket by 2028, Enabling Fault-Tolerant Quantum Computing
AWS News Blog USA Overview AWS and QuEra have strengthened their strategic collaboration to bring fault-tolerant quantum computing to Amazon Braket. As part of this alliance, QuEra's Megaquop-scale device, 'Libra' (equivalent to approxim... -
Hugging Face Papers Unveil Electronic Density Generative Framework Combining 3D Convolutional Autoencoders and Latent Diffusion Models
Hugging Face International Overview A generative framework for learning electronic density's latent space dynamics has been introduced in Hugging Face's paper collection. This framework combines 3D convolutional autoencoders with latent ... -
Argonne National Laboratory to Present AI and HPC Integration Research for Accelerated Materials and Molecular Discovery at ISC High Performance 2026
Argonne National Laboratory USA Overview Argonne National Laboratory announced research at ISC High Performance 2026 on integrating Artificial Intelligence (AI), High-Performance Computing (HPC), and quantum computing to accelerate mater...
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