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Search results for: TOLERANT QUANTUM COMPUTATION
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Activity Evaluation and Selection of Some Classes of Antibiotics with the use of Semi-Empirical Quantum Mechanics and Quantitative Structure- Activity Relationships Approach
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Toward mechanosynthesis of diamondoid sructures: viii. quantum-chemical molecular dynamics simulations of hexagonal silicon-iv structure synthesis with stm
Publicationw tej publikacji badano metodami kwantowo-chemicznymi różne strategie mechanosyntezy heksagonalnego krzemu iv. określono przybliżone warunki mechanosyntezy krzemu w formie lonsdaleitu za pomocą uhv-spm.
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Workshop on Quantum Information Processing
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Relativity of arithmetic as a fundamental symmetry of physics
PublicationArithmetic operations can be defined in various ways, even if one assumes commutativity and associativity of addition and multiplication, and distributivity of multiplication with respect to addition. In consequence, whenever one encounters ‘plus’ or ‘times’ one has certain freedom of interpreting this operation. This leads to some freedom in definitions of derivatives, integrals and, thus, practically all equations occurring in...
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Comparative study of donor-induced quantum dots in Si nano-channels by single-electron transport characterization and Kelvin probe force microscopy
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High pressure and time resolved studies of optical properties of n-type doped GaN/AlN multi-quantum wells: Experimental and theoretical analysis
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An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations
PublicationAn important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with ZnII, that is not likely to be active in redox pathways, minimizing further complications. The complex is monomeric, tetrahedral, with one HCur, an acetate and a molecule...
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Formal Techniques in Real-Time and Fault Tolerant Systems
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Flavones in cocoa defence against Phytophthora megakarya
PublicationCross-pollination of suitable genotypes and earlier selection of elite offspring using adequate plants-associated defence markers in plantlets leaves are decisive for development of T. cacao genotypes tolerant to black pods disease (BPD). T. cacao plantlets from manual cross-pollination of ♀SNK64 × ♂UPA143 were analyzed for their susceptibility to BPD using leaf disc test. Subsequently, leaves (healthy, wounded and wound+infected)...
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An approach to constructing genuinely entangled subspaces of maximal dimension
PublicationGenuinely entangled subspaces (GESs) are the class of completely entangled subspaces that contain only genuinely multiparty entangled states. They constitute a particularly useful notion in the theory of entanglement but also have found an application, for instance, in quantum error correction and cryptography. In a recent study (Demianowicz and Augusiak in Phys Rev A 98:012313, 2018), we have shown how GESs can be efficiently...
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International Workshop on Post-Quantum Cryptography
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ERATO Conference on Quantum Information Science
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Quantum Studies : Mathematics and Foundations
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IEEE JOURNAL OF QUANTUM ELECTRONICS
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Transaction on Engineering, Computation and Technology
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Extending loophole-free nonlocal correlations to arbitrarily large distances
PublicationQuantum theory allows spatially separated observers to share nonlocal correlations, which enable them to accomplish classically inconceivable information processing and cryptographic feats. However, the distances over which nonlocal correlations can be realized remain severely limited due to their high fragility to noise and high threshold detection efficiencies. To enable loophole- free nonlocality across large distances, we introduce...
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International Conference on Unconventional Computation and Natural Computation (International Conference on Unconventional Computation)
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Toward Mechanosynthesis of Diamondoid Structures: VI. Quantum-Chemical Molecular Dynamics Comparison of Conditions for the STM Tip Driven Mechanosynthesis on Hydrogenated Si(111), Si(110) and Si(100) Surfaces.
Publicationmożliwość prototypowania przejściowych generacji nano-urządzeń otrzymanych drogą pozycjonowanej mechanosyntezy za pomocą stm wyposażonego w ostrze typu swcnt są analizowane metodą kwantowo-chemicznej dynamiki molekularnej. proponowana strategia syntezy polega na insercji atomów si oraz cząsteczek sih2 we wiązania si-h na uwodornionej powierzchni si(111), si(110) oraz si(100) kryształu krzemu. rezultaty modelowania sugerują, że...
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Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublicationOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
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KernelHive: a new workflow-based framework for multilevel high performance computing using clusters and workstations with CPUs and GPUs
PublicationThe paper presents a new open-source framework called KernelHive for multilevel parallelization of computations among various clusters, cluster nodes, and finally, among both CPUs and GPUs for a particular application. An application is modeled as an acyclic directed graph with a possibility to run nodes in parallel and automatic expansion of nodes (called node unrolling) depending on the number of computation units available....
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QUEUE II Winter School
e-Learning CoursesQUEUE = QUantum and molEcUlEsIt's a school organized for all those young scientists and students who wish to learn on the basics and advances in quantum ideas and methodologies and its practical applications for living problems in chemistry, electrochemistry and material sciences. The students will learn on how to perform the quantum-chemical computations, because we have planned a big block of laboratories, aside from lectures,...
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QUEUE I Summer School
e-Learning CoursesQUEUE = QUantum and molEcUlEsIt's a school organized for all those young scientists and students who wish to learn on the basics and advances in quantum ideas and methodologies and its practical applications for living problems in chemistry, electrochemistry and material sciences. The students will learn on how to perform the quantum-chemical computations, because we have planned a big block of laboratories, aside from lectures,...
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QUEUE III Summer School
e-Learning CoursesQUEUE = QUantum and molEcUlEsIt's a school organized for all those young scientists and students who wish to learn on the basics and advances in quantum ideas and methodologies and its practical applications for living problems in chemistry, electrochemistry and material sciences. The students will learn on how to perform the quantum-chemical computations, because we have planned a big block of laboratories, aside from lectures,...
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Unconventional Models of Computation
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Workshop on Physics and Computation
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Leszek Ziemczonek dr
PeopleUniversity education 1973-1978 – Nicolaus Copernicus University in Toruń, University of Gdańsk in Gdańsk, Mathematical Physics, M. Sc. 1979 – Diploma of Postgraduate Studies, Pedagogics 1989 – Institute of Physics, Polish Academy of Sciences in Warsaw, Theoretical Physics, Ph. D. 2010-2012 – Diploma of Postgraduate Studies, Mathematics Training: · 09.1983 – Trieste (Italy) – International Centre for Theoretical Physics...
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IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS
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Economic Computation and Economic Cybernetics Studies and Research
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Anomalous anisotropy of deuterium-grown boron-doped diamond and the role of boron-tetramers in the Mott-Insulator transition
Open Research DataWe show anisotropy in the superconductivity for boron-doped diamond thin films prepared with Microwave Plasma Assisted Chemical Vapor Deposition using deuterium-rich plasma. This anomalous phase transition is linked with the emergence of boson quantum entanglement states behaving as a bosonic insulating state. Here, we show that the superconducting...
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International Conference on Natural Computation
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International Symposium on Algorithms and Computation
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International Workshop on Randomization and Computation
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IEEE Congress on Evolutionary Computation
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ACM Conference on Economics and Computation
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst LNCaP cancer cells
Open Research DataTis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst LNCaP cancer cells. FA (folic acid) with cyclodextrin (CD) was used as a linker between quantum dots (QDs) and compound (C-2028).
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst Du-145 cancer cells
Open Research DataTis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst LNCaP cancer cells. FA (folic acid) with cyclodextrin (CD) was used as a linker between quantum dots (QDs) and compound (C-2028).
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst H460 cancer cells
Open Research DataThis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst H460 cancer cells. FA (folic acid) with cyclodextrin (CD) was used as a linker between quantum dots (QDs) and compound (C-2028).
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Using GPUs for Parallel Stencil Computations in Relativistic Hydrodynamic Simulation
PublicationThis paper explores the possibilities of using a GPU for complex 3D finite difference computation. We propose a new approach to this topic using surface memory and compare it with 3D stencil computations carried out via shared memory, which is currently considered to be the best approach. The case study was performed for the extensive computation of collisions between heavy nuclei in terms of relativistic hydrodynamics.
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublicationThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublicationWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst MRC-5 normal cells
Open Research DataTis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst MRC-5 normal cells. FA (folic acid) with cyclodextrin (CD) was used as a linker between quantum dots (QDs) and compound (C-2028).
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Experimentally feasible semi-device-independent certification of four-outcome positive-operator-valued measurements
PublicationRecently the quantum information science community devoted a lot of attention to the theoretical and practical aspects of generalized measurements, the formalism of all possible quantum operations leading to acquisition of classical information. On the other hand, due to imperfections present in quantum devices, and limited thrust to them, a trend of formulating quantum information tasks in a semi-device-independent manner emerged....
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A Regular Expression Matching Application with Configurable Data Intensity for Testing Heterogeneous HPC Systems
PublicationModern High Performance Computing (HPC) systems are becoming increasingly heterogeneous in terms of utilized hardware, as well as software solutions. The problems, that we wish to efficiently solve using those systems have different complexity, not only considering magnitude, but also the type of complexity: computation, data or communication intensity. Developing new mechanisms for dealing with those complexities or choosing an...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublicationThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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Discrete Models: Combinatorics, Computation and Geometry
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Workshop on Logic, Language, Information and Computation
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International Symposium on Symbolic and Algebraic Computation
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DIMACS Workshop on Intrinsic Complexity of Computation
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International Conference on Advanced Communications and Computation
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Symposium of Asian Association for Algorithms and Computation
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