libEnsemble: New capabilities for coordinating dynamic ensembles of calculations by John-Luke Navarro (9024008)

A detailed process of iterative simulation coupled with bone density algorithm; (a) a function of stimulus and related bone density changes, and (b) iterative calculations of finit... by Hassan Mehboob (8960273)

ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space by Koushik Naskar (7510592)

“…In order to overcome such shortcoming, we develop a generalized algorithm, “ADT” to generate the nonadiabatic equations through symbolic manipulation and to construct highly accurate diabatic surfaces for molecular processes involving excited electronic states. …”

Adaptive and on-batch estimation of <i>ρ</i> for 2000 samples from the MAWI Trace aggregated in 1<i>ms</i>. by Alisson Assis Cardoso (7861175)

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Resource Block (RB) bandwidth for the LTE Release 15 NSA [1]. by Alisson Assis Cardoso (7861175)

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Delay (<i>ms</i>). by Alisson Assis Cardoso (7861175)

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5G basic time-frequency resource structure (<i>μ</i> = 0). by Alisson Assis Cardoso (7861175)

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Link utilization (%). by Alisson Assis Cardoso (7861175)

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Example of multiplicative cascades. by Alisson Assis Cardoso (7861175)

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Adaptive and on-batch estimation of <i>γ</i> for 2000 samples from the MAWI Trace aggregated in 1<i>ms</i>. by Alisson Assis Cardoso (7861175)

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Byte loss rate (%). by Alisson Assis Cardoso (7861175)

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Throughput per user (<i>Mbps</i>). by Alisson Assis Cardoso (7861175)

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Fuzzy flow rate control scheme. by Alisson Assis Cardoso (7861175)

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Adaptive and on-batch estimation of <i>α</i> for 2000 samples from the MAWI Trace aggregated in 1<i>ms</i>. by Alisson Assis Cardoso (7861175)

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Numerology for the LTE Release 15 NSA [1]. by Alisson Assis Cardoso (7861175)

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Buffer occupancy (%). by Alisson Assis Cardoso (7861175)

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Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications by P. Bernát Szabó (10526316)

“…This enables the accurate modeling of large systems with complex electronic structures, as illustrated on open-shell organic radicals and transition-metal complexes of up to 179 atoms as well as on challenging biochemical systems, including up to 601 atoms and 11,000 basis functions. While the protein models involve difficulties for local approximations, such as the spin states of a bounded iron ion or an extremely delocalized singly occupied orbital, the corresponding single-node LNO-CCSD­(T) computations were feasible in a matter of days with 10s to 100 GB of memory use. …”

Affiliation function of unwinding tension deviation bias <i>e</i>. by Yanjun Xiao (1993411)

Affiliation function of polar slice correction bias <i>e</i>. by Yanjun Xiao (1993411)

Results of the application of different clustering algorithms to average functional connectivity from healthy subjects. by Francisco Páscoa dos Santos (16510676)

“…<p>A) Resulting cluster inertia from applying the k-means algorithm described in the methods to empirical averaged functional connectivity from healthy subjects, with different numbers of clusters. …”