Results 11 to 20 of about 28,142 (308)
CoRR, 2018 We propose the chemlambda artificial chemistry, whose behavior strongly suggests that real molecules which embed Interaction Nets patterns and real chemical reactions which resemble Interaction Nets graph rewrites could be a realistic path towards molecular computers, in the sense explained in the article.
Marius Buliga (475484)
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Molecular computers for molecular robots as hybrid systems
Theoretical Computer Science, 2016 zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Masami Hagiya +3 more
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Simulating open-system molecular dynamics on analog quantum computers
Physical Review ResearchInteractions of molecules with their environment influence the course and outcome of almost all chemical reactions. However, classical computers struggle to accurately simulate complicated molecule-environment interactions because of the steep growth of ...
Vanessa C. Olaya-Agudelo +8 more
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Encoding Molecular Docking for Quantum Computers
, 2023 Molecular docking is important in drug discovery but is burdensome for classical computers. Here, we introduce Grid Point Matching (GPM) and Feature Atom Matching (FAM) to accelerate pose sampling in molecular docking by encoding the problem into ...
Jiaqi Su (312162) +9 more
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On the performance and programming of reversible molecular computers
, 2021 If the 20th century was known for the computational revolution, what will the 21st be known for? Perhaps the recent strides in the nascent fields of molecular programming and biological computation will help bring about the ‘Coming Era of Nanotechnology’
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Rebooting the Molecular Computer [PDF]
ACS Central Science, 2016 The fuzzy sound of a distorted electric guitar is, for rock fans, a thing of beauty. It has been a staple of music since the early 1950s, when guitarists strained the vacuum tubes inside their amplifiers to match the raw voices of blues singers. Later generations relied on digital devices: “effects pedals” with circuits built from silicon diodes and ...
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Molecular computing for Markov chains [PDF]
Natural Computing, 2019 In this paper, it is presented a methodology for implementing arbitrarily constructed time-homogenous Markov chains with biochemical systems. Not only discrete but also continuous-time Markov chains are allowed to be computed. By employing chemical reaction networks (CRNs) as a programmable language, molecular concentrations serve to denote both input ...
Chuan Zhang 0001 +5 more
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Computing molecular excited states on a D-Wave quantum annealer
Scientific Reports, 2021 The possibility of using quantum computers for electronic structure calculations has opened up a promising avenue for computational chemistry. Towards this direction, numerous algorithmic advances have been made in the last five years.
Alexander Teplukhin +8 more
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Solving hadron structures using the basis light-front quantization approach on quantum computers
Physical Review Research, 2022 Quantum computing has demonstrated the potential to revolutionize our understanding of nuclear, atomic, and molecular structure by obtaining forefront solutions in nonrelativistic quantum many-body theory. In this work, we show that quantum computing can
Wenyang Qian +4 more
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Exploring SIMD for molecular dynamics, using Intel Xeon processors and Intel Xeon Phi coprocessors [PDF]
, 2013 We analyse gather-scatter performance bottlenecks in molecular dynamics codes and the challenges that they pose for obtaining benefits from SIMD execution. This analysis informs a number of novel code-level and algorithmic improvements to Sandia's miniMD
Jarvis, S. A.; id_orcid +9 more
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