Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

抗原变异可使得多种致病微生物易于逃避宿主免疫应答。表达在感染红细胞表面的恶性疟原虫红细胞表面蛋白1（PfPMP1）与感染红细胞、内皮细胞、树突状细胞以及胎盘的单个或多个受体作用，在黏附及免疫逃避中起关键的作用。每个单倍体基因组var基因家族编码约60种成员，通过启动转录不同的var基因变异体为抗原变异提供了分子基础。

疟原虫var基因转换速率变化导致抗原变异[英]／Paul H, Robert P, Christodoulou Z, et al//Proc Natl Acad Sci U S A

MKT 6009 Marketing Internship (0 semester credit hours) Student gains experience and improves skills through appropriate developmental work assignments in a real business environment. Student must identify and submit specific business learning objectives at the beginning of the semester. The student must demonstrate exposure to the managerial perspective via involvement or observation. At semester end, student prepares an oral or poster presentation, or a written paper reflecting on the work experience. Student performance is evaluated by the work supervisor. Pass/Fail only. Prerequisites: (MAS 6102 or MBA major) and department consent required. (0-0) S MKT 6244 Digital Marketing Strategy (2 semester credit hours) Executive Education Course. The course explores three distinct areas within marketing and sales namely, digital marketing, traditional sales prospecting, and executive sales organization and strategy. The continuing convergence of the digital marketing and sales funnels has created a strategic continuum from digital lead generation to digital sales. The course identifies the current composition of this digital continuum while providing opportunities to evaluate sales and marketing digital strategies. Prerequisites: MKT 6301 and instructor consent required. (2-0) Y MKT 6301 (SYSM 6318) Marketing Management (3 semester credit hours) Overview of marketing management methods, principles and concepts including product, pricing, promotion and distribution decisions as well as segmentation, targeting and positioning. (3-0) S MKT 6309 Marketing Data Analysis and Research (3 semester credit hours) Methods employed in market research and data analysis to understand consumer behavior, customer journeys, and markets so as to enable better decision-making. Topics include understanding different sources of data, survey design, experiments, and sampling plans. The course will cover the techniques used for market sizing estimation and forecasting. In addition, the course will cover the foundational concepts and techniques used in data visualization and \"story-telling\" for clients and management. Corequisites: MKT 6301 and OPRE 6301. (3-0) Y MKT 6310 Consumer Behavior (3 semester credit hours) An exposition of the theoretical perspectives of consumer behavior along with practical marketing implication. Study of psychological, sociological and behavioral findings and frameworks with reference to consumer decision-making. Topics will include the consumer decision-making model, individual determinants of consumer behavior and environmental influences on consumer behavior and their impact on marketing. Prerequisite: MKT 6301. (3-0) Y MKT 6321 Interactive and Digital Marketing (3 semester credit hours) Introduction to the theory and practice of interactive and digital marketing. Topics covered include: online-market research, consumer behavior, conversion metrics, and segmentation considerations; ecommerce, search and display advertising, audiences, search engine marketing, email, mobile, video, social networks, and the Internet of Things. (3-0) T MKT 6322 Internet Business Models (3 semester credit hours) Topics to be covered are: consumer behavior on the Internet, advertising on the Internet, competitive strategies, market research using the Internet, brand management, managing distribution and supply chains, pricing strategies, electronic payment systems, and developing virtual organizations. Further, students learn auction theory, web content design, and clickstream analysis. Prerequisite: MKT 6301. (3-0) Y MKT 6323 Database Marketing (3 semester credit hours) Techniques to analyze, interpret, and utilize marketing databases of customers to identify a firm's best customers, understanding their needs, and targeting communications and promotions to retain such customers. Topics

Marketing for management.

Worldwide commercial interest in carbon nanotubes (CNTs) is reflected in a production capacity that presently exceeds several thousand tons per year. Currently, bulk CNT powders are incorporated in diverse commercial products ranging from rechargeable batteries, automotive parts, and sporting goods to boat hulls and water filters. Advances in CNT synthesis, purification, and chemical modification are enabling integration of CNTs in thin-film electronics and large-area coatings. Although not yet providing compelling mechanical strength or electrical or thermal conductivities for many applications, CNT yarns and sheets already have promising performance for applications including supercapacitors, actuators, and lightweight electromagnetic shields.

/pdf/carbon-nanotubes-present-and-future-commercial-applications-1nhq3xy4hh.pdf

Carbon Nanotubes: Present and Future Commercial Applications

Department of Materials Science, University of Patras, 26504 Rio Patras, Greece, Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48 Vass. Constantinou Avenue, 116 35 Athens, Greece, Institut de Biologie Moleculaire et Cellulaire, UPR9021 CNRS, Immunologie et Chimie Therapeutiques, 67084 Strasbourg, France, and Dipartimento di Scienze Farmaceutiche, Universita di Trieste, Piazzale Europa 1, 34127 Trieste, Italy

Chemistry of Carbon Nanotubes

Vulnerability of small-scale fisheries (SSF) results from complex interactions amongst various threats and stressors, including biophysical risks, environmental variability, unstable political situations, and weak governance, to name a few. SSF vulnerability has become more evident, with increased severity, during the COVID-19 pandemic. Knowledge about what makes SSF vulnerable is limited, which impedes appropriate policy responses and intervention. As a first step to rectifying the situation, a classification approach is proposed to better describe and differentiate types of vulnerability to SSF and to guide data collection and dissemination about SSF vulnerability. The classification system is developed based on a narrative review of case studies worldwide, published in scientific journals in the past 20 years. The case studies cover SSF in diverse aquatic environments, including river, floodplain, reservoir, river delta, lake, atoll, estuaries, lagoon mangrove, coral reefs, seagrass ecosystem, islands, coastal and marine environment. Similar to the five pillars of sustainability, SSF vulnerability is associated with five main factors, i.e., biophysical, social, economic, technological, and governance. Knowledge about SSF vulnerability helps inform tailored management strategies and policies to reduce SSF marginalization and promote viability, aligning, therefore, with the goal of the Voluntary Guidelines for Securing Sustainable Small-Scale Fisheries. 

Towards a classification of vulnerability of small-scale fisheries

Intramolecular Electron Transfer through Poly-Ferrocenyl Glucose Oxidase Conjugates to Carbon Electrodes: 2. Mechanistic Understanding of Long-Term Stability

Graphene and carbon nanotubes have been utilized as reinforcement phases in nanostructured ceramic and metallic matrix nanocomposites that are adapted for several structural applications. The incorporation of graphene into these matrices has led to the improvement of fracture toughness especially in brittle ceramics, and other mechanical and physical properties when they are homogeneously dispersed within the matrix phase. With the combination of large specific area, high aspect ratio and outstanding mechanical properties, these suitable nano-phases provide toughening effect in the base material matrix typically by crack bridging and pinning, and crack deflection [1]. Reports have also shown that the substantial grain refinement capabilities of graphene and carbon nanotubes within the matrix contribute immensely to the enhanced mechanical properties. The addition of graphene also provides good lubrication and improves wear resistance of metallic and ceramic based composites such as aluminum, alumina and silicon carbide. Recent studies have shown that desirable properties in graphene reinforced composites is dependent on several factors such as phase homogeneity and interfacial bonding, which are mostly dependent on the processing route[2]. Whilst most studies have reported significant improvement in mechanical properties with graphene addition in these matrix materials, other investigations have shown that the properties such as wear resistance and fracture toughness deplete with certain amounts of graphene and CNT inclusions. This is mainly attributed to processing challenges such as carbon agglomeration and retention of graphene nanostructures within the matrix after consolidation. In the current study, attempt has been made to homogeneously disperse graphene within alumina and aluminum matrix to form nanocomposites using a colloidal mixing route followed by high temperature sintering. The final consolidated composites were subjected to reciprocating sliding wear test under constant loads. The effect of graphene inclusion on the microstructure and wear characteristics of the various nanocomposites are discussed below.

/pdf/effect-of-graphene-on-wear-properties-of-aluminum-and-3awjq1ez4m.pdf

Effect of Graphene on Wear Properties of Aluminum and Alumina Matrix Nanocomposites

Molybdenum thin films were sputter deposited under different conditions of DC power and chamber pressure. The structure and topography of the films were investigated using AFM, SEM and XRD techniques. Van der Pauw method and tape test were employed to determine electrical resistivity and interfacial strength to the substrate, respectively. All the films are of sub-micron thickness with maximum growth rate of 78 nm/min and crystallite size in the range of 4 to 21 nm. The films produced at high power and low pressure exhibit compressive residual strains, low electrical resistivity and poor adhesion to the glass substrate, whereas the converse is true for films produced at high pressure.

Processing–structure–property correlation in dc sputtered molybdenum thin films

Emerging applications for electrochemical energy storage require devices that not only possess high power and energy, but also are capable of withstanding mechanical deformation without degradation of performance. To this end, we have constructed electric double layer capacitors (EDLCs), also referred to as supercapacitors, using thick, ultracompressible graphene-coated carbon nanotube aerogels as electrodes. These electrodes showed a high capacitance in both aqueous and room-temperature ionic liquid (RTIL) electrolytes, achieving between 60 and100 F/g, respectively, with the performance stable over hundreds of charge/discharge cycles and at high rates exceeding 1 V/s. This performance was retained fully under 90% compression of the systems, allowing us to construct cells with high volumetric capacitances of ∼5–18 F/cm3 in aqueous and RTIL electrolytes, respectively, which are 50–100 times higher than comparable compressible EDLCs (∼0.1 F/cm3). Further, the volumetric capacitances approach values reported...

Mohammad Islam

Papers

Towards a classification of vulnerability of small-scale fisheries

Intramolecular Electron Transfer through Poly-Ferrocenyl Glucose Oxidase Conjugates to Carbon Electrodes: 2. Mechanistic Understanding of Long-Term Stability

Effect of Graphene on Wear Properties of Aluminum and Alumina Matrix Nanocomposites

Processing–structure–property correlation in dc sputtered molybdenum thin films

Ultracompressible, High Rate Supercapacitors from Graphene-Coated Carbon Nanotube Aerogels