Abstract: Running molecular dynamics simulations of proteins is a major necessity for computational biologists to understand diseases and design therapies. However, these simulations require massive ...

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Quantum Computing Exploration: Molecular simulator prototype built with IBM Qiskit. A hands-on proof of concept developed in hours, demonstrating practical application of quantum algorithms for ...

PoreLab, The Njord Centre, Department of Physics, University of Oslo, Oslo, Norway We study the cavitation bubble that forms as a nano-scale spherical surface is detached from a flat surface using ...

Key Laboratory of Carcinogenesis and Translational Research (Ministry of Education), Department of Pharmacy, Peking University Cancer Hospital and Institute, Beijing, China Objectives: This study ...

Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455-0132, United States Department of Chemistry and Chemical Theory Center, University of ...

Abstract: In seeking to accelerate the mathematically intense engineering and scientific applications, parallel computing is used to bypass the physical limitations of traditional stand-alone CPU ...