Computational Chemistry

6 reports
Computational Chemistry is investigated through molecular structure, reactions, energy, measurement, and material behavior under controlled conditions. Its scientific meaning is clarified through reaction pathways and molecular dynamics, with attention to testable predictions and limiting cases.

Evidence used to assess which approximations affect accuracy comes from worked examples and molecular dynamics. The same sources help examine how simulations are validated, keeping definitions, predictions, and observations from being conflated.

Quantum Simulation Targets EUV Lithography Blur in Canada-Japan Project

Xanadu and Mitsubishi Chemical are advancing quantum simulation for semiconductor fabrication, aiming to address radiation-induced blur in extreme ultraviolet lithography with support from Canadian and Japanese research funding

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200 Logical Qubit Quantum Emulation Benchmarked on Classical Hardware

Researchers have emulated quantum algorithms with over 200 logical qubits using the iQCC method on standard server hardware, benchmarking performance and accuracy for OLED materials design without relying on supercomputers

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AI-Generated Quantum Circuits Tested on 98-Qubit Trapped-Ion Hardware

A collaboration between Quantinuum, NVIDIA, and Pfizer has demonstrated an AI-driven framework for generating quantum circuits, executing them on a 98-qubit trapped-ion processor to model pharmaceutical molecules

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Quantum Algorithms Target Photodynamic Cancer Drug Design Limits

Xanadu Quantum Technologies and the University of Alberta are developing quantum algorithms to simulate light-activated molecules for photodynamic cancer therapy, aiming to overcome classical computational bottlenecks in drug discovery

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Honda Invests in Quemix to Advance Quantum Algorithms for Materials

Honda has taken an equity stake in Quemix, a Tokyo-based quantum software startup, aiming to accelerate the use of quantum algorithms for next-generation battery materials and automotive applications

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QC Ware Tests Hybrid Quantum-Classical Chemistry on IBM Heron Processor

QC Ware has demonstrated a hybrid quantum-classical workflow for molecular energy calculations, integrating its Promethium platform with IBM's 156-qubit Heron superconducting quantum processor to analyze a complex metalloenzyme system

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