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A Bifunctional Mechanism for Ethene Dimerization: Catalysis by Rhodium Complexes on Zeolite HY in the Absence of Halides

Serna Merino, Pedro Manuel; Gates, B. C. (Wiley-VCH Verlag, 2011-04-29)

[EN] No ligands needed: Rhodium complexes supported on HY zeolite catalyze the formation of C[BOND]C bonds by a new mechanism involving cooperation between the metal species and Brønsted acid sites of the zeolite support ...
A complete and efficient CUDA-sharing solution for HPC clusters

Peña Monferrer, Antonio José; Reaño González, Carlos; Silla Jiménez, Federico; Mayo Gual, Rafael; Quintana-Orti, Enrique S.; Duato Marín, José Francisco (Elsevier, 2014-12)

In this paper we detail the key features, architectural design, and implementation of rCUDA, an advanced framework to enable remote and transparent GPGPU acceleration in HPC clusters. rCUDA allows decoupling GPUs from ...
A Highly Selective Catalyst for Partial Hydrogenation of 1,3-Butadiene: MgO-Supported Rhodium Clusters Selectively Poisoned with CO

Yardimci, Dicle; Serna Merino, Pedro Manuel; Gates, B.C. (Wiley-VCH Verlag, 2012-10)
A local global pattern matching method for subsurface stochastic inverse modeling

Li ., Liangping; Srinivasan, Sanjay; Zhou, Haiyan; Gómez Hernández, José Jaime (Elsevier, 2015-05-15)

Inverse modeling is an essential step for reliable modeling of subsurface flow and transport, which is important for groundwater resource management and aquifer remediation. Multiple-point statistics (MPS) based reservoir ...
A Machine Learning Approach to Zeolite Synthesis Enabled by Automatic Literature Data Extraction

Jensen, Zach; Kim, Edward; Kwon, Soonhyoung; Gani, Terry Z.H.; Román-Leshkov, Yuriy; Moliner Marin, Manuel; Corma Canós, Avelino; Olivetti, Elsa (American Chemical Society, 2019-05-22)

[EN] Zeolites are porous, aluminosilicate materials with many industrial and "green" applications. Despite their industrial relevance, many aspects of zeolite synthesis remain poorly understood requiring costly trial and ...
A Pilot Point Guided Pattern Matching Approach to Integrate Dynamic Data into Geological Modeling

Li, Liangping; Srinivasan, Sanjay; Zhou, Haiyan; Gómez-Hernández, J. Jaime (Elsevier, 2013-12)

Methods based on multiple-point statistics (MPS) have been routinely used to characterize complex geological formations in the last decade. These methods use the available static data (for example, measured conductivities) ...
A programmable, multichannel power supply for SiPMs with temperature compensation loop and Ethernet interface

Querol-Segura, Marc; Rodriguez-Samaniego, Javier; Toledo Alarcón, José Francisco; Esteve Bosch, Raul; Álvarez-Puerta, Vicente; Herrero Bosch, Vicente (IOP Publishing, 2016-12-15)

Among the different techniques available, the SiPM power supply described in this paper uses output voltage and sensor temperature feedback. A high-resolution ADC digitizes both the output voltage and an analog signal ...
A study on the relationship between internal nozzle geometry and injected mass distribution of eight ECN Spray G nozzles

Matusik, Katarzyna; Duke, Daniel; Sovis, Nicholas; Swantek, Andrew; Powell, Christopher; Payri, Raul; Vaquerizo, Daniel; Giraldo Valderrama, Jhoan Sebastián; Kastengren, Alan (Editorial Universitat Politècnica de València, 2017-07-28)

[EN] Gasoline direct injection (GDI) nozzles are manufactured to meet geometric specifications with length scales on the order of a few hundred microns. The machining tolerances of these nominal dimensions are not always ...
Acceleration of PageRank with customized precision based on mantissa segmentation

Gruetzmacher, Thomas; Cojean, Terry; Flegar, Goran; Anzt, Hartwig; Quintana-Orti, Enrique S. (Association for Computing Machinery, 2020-03)

[EN] We describe the application of a communication-reduction technique for the PageRank algorithm that dynamically adapts the precision of the data access to the numerical requirements of the algorithm as the iteration ...
Accurate gamma and MeV-electron track reconstruction with an ultra-low diffusion Xenon/TMA TPC at 10 atm

Gonzalez Diaz, Diego; Álvarez Puerta, Vicente; Borges, F. I. G.; Camargo, M.; Carcel, S.; Cebrian, S.; Cervera, A.; Conde, C. A. N.; Dafni, T.; Esteve Bosch, Raul; Fernandes, L. M. P.; Mora Mas, Francisco José; Pérez Aparicio, José Luis; Rodríguez Samaniego, Javier; Toledo Alarcón, José Francisco (Elsevier, 2015-12-21)

We report the performance of a 10 atm Xenon/trimethylamine time projection chamber (TPC) for the detection of X-rays (30 keV) and gamma-rays (0.511-1.275 MeV) in conjunction with the accurate tracking of the associated ...
Adaptive Precision Block-Jacobi for High Performance Preconditioning in the Ginkgo Linear Algebra Software

Flegar, Goran; Anzt, Hartwig; Cojean, Terry; Quintana-Ortí, Enrique S. (Association for Computing Machinery, 2021-04)

[EN] The use of mixed precision in numerical algorithms is a promising strategy for accelerating scientific applications. In particular, the adoption of specialized hardware and data formats for low-precision arithmetic ...
Adaptive precision in block-Jacobi preconditioning for iterative sparse linear system solvers

Anzt, Hartwig; Dongarra, Jack; Flegar, Goran; Higham, Nicholas J.; Quintana Ortí, Enrique Salvador (John Wiley & Sons, 2019-03-25)

[EN] We propose an adaptive scheme to reduce communication overhead caused by data movement by selectively storing the diagonal blocks of a block-Jacobi preconditioner in different precision formats (half, single, or ...
An experimental and one-dimensional modeling analysis of turbulent gas ejection in pre-chamber engines

García-Oliver, José M; Niki, Y.; Rajasegar, R.; Novella Rosa, Ricardo; Gómez-Soriano, Josep; Martínez-Hernándiz, Pablo José; Li, Z.; Musculus, M. P. B. (Elsevier, 2021-09-01)

[EN] Experimental results from a study on the evolution of gas jets ejected through the orifices of a pre-chamber in a heavy-duty optical engine are presented. The work examines conditions without fuel inside the main-chamber, ...
An improved measurement of electron-ion recombination in high-pressure xenon gas

Serra, L.; Sorel, M.; Alvarez, V.; Borges, F. I. G.; Camargo, M.; Carcel, S.; Cebrian, S.; Cervera, A.; Conde, C. A. N.; Dafni, T.; Diaz, J.; Esteve Bosch, Raul; Marí Romero, Antonio Francisco; Mora Mas, Francisco José; Pérez Aparicio, José Luis; Querol Galve, Marcos; Toledo Alarcón, José Francisco; Webb, Rachel; Yahlali Haddou, Nadia (IOP Publishing, 2015-03)

We report on results obtained with the NEXT-DEMO prototype of the NEXT-100 high-pressure xenon gas time projection chamber (TPC), exposed to an alpha decay calibration source. Compared to our previous measurements with ...
An Ultrahigh CO2-Loaded Silicalite-1 Zeolite: Structural Stability and Physical Properties at High Pressures and Temperatures

Marqueno, Tomas; Santamaria-Perez, David; Ruiz-Fuertes, Javier; Chulia-Jordan, Raquel; Jorda Moret, Jose Luis; Rey Garcia, Fernando; McGuire, Chris; Kavner, Abby; MacLeod, Simon; Daisenberger, Dominik; Popescu, Catalin; Rodríguez-Hernández, Plácida; Munoz, Alfonso (American Chemical Society, 2018-06-04)

[EN] We report the formation of an ultrahigh CO2-loaded pure-SiO2, silicalite-1 structure at high pressure (0.7 GPa) from the interaction of empty zeolite and fluid CO, medium. The CO2-filled structure was characterized ...
Analysis of combustion acoustic phenomena in compression-ignition engines using large eddy simulation

Broatch, A.; Novella Rosa, Ricardo; GARCIA TISCAR, JORGE; Gómez-Soriano, Josep; Pal, P. (American Institute of Physics, 2020-08-01)

[EN] As computational capabilities continue to grow, exploring the limits of computational fluid dynamics to capture complex and elusive phenomena, which are otherwise difficult to study by experimental techniques, is one ...
Analysis of threading libraries for high performance computing

Castelló, Adrián; Mayo Gual, Rafael; Seo, Sangmin; Balaji, Pavan; Quintana Ortí, Enrique Salvador; Peña, Antonio J. (Institute of Electrical and Electronics Engineers, 2020-09-01)

[EN] With the appearance of multi-/many core machines, applications and runtime systems have evolved in order to exploit the new on-node concurrency brought by new software paradigms. POSIX threads (Pthreads) was widely-adopted ...
Assessment of the mixing-limited hypothesis with first-principles simulation results

Schmidt, David P.; Arienti, Marco; García-Oliver, José M; Pastor Enguídanos, José Manuel (American Institute of Physics, 2022-12)

[EN] Starting with two well-tested, one-dimensional models of non-evaporating, mixing-limited sprays, governing equations for liquid mass and two-phase momentum for each model can be manipulated to reveal the formal ...
Background rejection in NEXT using deep neural networks

Renner, J.; Farbin, A.; Muñoz Vidal, J.; Benlloch-Rodríguez, J.M.; Botas, A.; Ferrario, P.; Gómez-Cadenas, J.J.; Álvarez, V.; Azevedo, C.D.R.; Borges, F.I.G.; Cárcel, S.; Carrión, J.V.; Esteve Bosch, Raul; Herrero Bosch, Vicente; Mora Mas, Francisco José; Toledo Alarcón, José Francisco (IOP Publishing, 2017-01)

[EN] We investigate the potential of using deep learning techniques to reject background events in searches for neutrinoless double beta decay with high pressure xenon time projection chambers capable of detailed track ...
Boosting the performance of remote GPU virtualization using InfiniBand Connect-IB and PCIe 3.0

Reaño González, Carlos; Silla Jiménez, Federico; Peña Monferrer, Antonio José; Shainer, Gilad; Schultz, Scot; Castello Gimeno, Adrián; Quintana Ortí, Enrique Salvador; Duato Marín, José Francisco (IEEE, 2014-09-22)

[EN] A clear trend has emerged involving the acceleration of scientific applications by using GPUs. However, the capabilities of these devices are still generally underutilized. Remote GPU virtualization techniques can ...