Practice and Experience in Advanced Research Computing
We describe the design motivation, architecture, deployment, and early operations of Expanse, a 5... more We describe the design motivation, architecture, deployment, and early operations of Expanse, a 5 Petaflop, heterogenous HPC system that entered production as an NSF-funded resource in December 2020 and will be operated on behalf of the national community for five years. Expanse will serve a broad range of computational science and engineering through a combination of standard batchoriented services, and by extending the system to the broader CI ecosystem through science gateways, public cloud integration, support for high throughput computing, and composable systems. Expanse was procured, deployed, and put into production entirely during the COVID-19 pandemic, adhering to stringent public health guidelines throughout. Nevertheless, the planned production date of October 1, 2020 slipped by only two months, thanks to thorough planning, a dedicated team of technical and administrative experts, collaborative vendor partnerships, and a commitment to getting an important national computing resource to the community at a time of great need.
The size and frequency of wildland fires in the western United States have dramatically increased... more The size and frequency of wildland fires in the western United States have dramatically increased in recent years. On high-fire-risk days, a small fire ignition can rapidly grow and become out of control. Early detection of fire ignitions from initial smoke can assist the response to such fires before they become difficult to manage. Past deep learning approaches for wildfire smoke detection have suffered from small or unreliable datasets that make it difficult to extrapolate performance to real-world scenarios. In this work, we present the Fire Ignition Library (FIgLib), a publicly available dataset of nearly 25,000 labeled wildfire smoke images as seen from fixed-view cameras deployed in Southern California. We also introduce SmokeyNet, a novel deep learning architecture using spatiotemporal information from camera imagery for real-time wildfire smoke detection. When trained on the FIgLib dataset, SmokeyNet outperforms comparable baselines and rivals human performance. We hope tha...
Urban flooding is one of the major issues in many parts of the world and its management often cha... more Urban flooding is one of the major issues in many parts of the world and its management often challenging. Here we present Internet of Things (IoT) approach for monitoring urban flooding in the City of Colima, Mexico. A network of water level and weather sensors have been developed along with a web-based data platform integrated with IoT techniques to retrieve data using 3G/4G and Wi-Fi networks. The developed architecture uses the Message Queuing Telemetry Transport protocol to send real-time data packages from fixed nodes to a server that stores retrieved data in a non-relational database. Data can be accessed and displayed through different queries and graphical representations, allowing future use in flood analysis and prediction. Additionally, machine learning algorithms are integrated into the system for short-range water level predictions at different nodes of the network.
, 619-997-3562 Ismael Perez earned his BA degree from San Diego State University in May, 2014. He... more , 619-997-3562 Ismael Perez earned his BA degree from San Diego State University in May, 2014. He graduated cum laude with a major in mathematics with an emphasis in computational science.
En este trabajo se presentan datos recientes obtenidos en trabajos efectuados en el sitio de Sond... more En este trabajo se presentan datos recientes obtenidos en trabajos efectuados en el sitio de Sondor, uno de los principales monumentos arqueológicos del periodo inca, ubicado en la ruta del camino inca entre Cuzco y Vilcashuamán, en el departamento de ApurÃmac. Se hicieron estudios sobre la distribución arquitectónica y al patrón de enterramiento, que condujeron a plantear hipótesis sobre las prácticas rituales y ceremonias relacionadas con la capacocha. Esto se llevó a cabo en el marco de trabajos orientados a promover la investigación y puesta en valor del sitio con fines culturales y turÃsticos.
Since hydrophilic matrices were proposed for controlled drug delivery, many polymeric excipients ... more Since hydrophilic matrices were proposed for controlled drug delivery, many polymeric excipients have been studied in order to make drug release fit the desired profiles. It has been pointed out that lambda-carrageenan, a sulphated polymer from algae, can suitably control the release rate of basic drugs from hydrophilic matrices with no need for complex technological processes. In this work, we propose a method to monitor morphologically the interaction between lambda-carrageenan and dexchlorpheniramine maleate (D-CPM), in order to find out how the release profiles can be so easily controlled. To this end, solutions of both polymer and drug were prepared at very low concentration. Solutions were mixed and samples were taken every hour over a period of 20 h. The characterization technique employed, atomic force microscopy (AFM), provides a high resolution, allowing to show the three-dimensional morphology of the samples within the nanometric scale. The results demonstrate that lambda-carrageenan is able to nanoencapsulate spontaneously D-CPM molecules, which offers the possibility to easily control the release rate of the drug. This work has moreover demonstrated the suitability of AFM for the specific case of the on-time monitoring of interaction processes that happen in pharmaceutical systems.
In recent years, various single-molecule electronic components have been demonstrated 1. However,... more In recent years, various single-molecule electronic components have been demonstrated 1. However, it remains difficult to predict accurately the conductance of a single molecule and to control the lateral coupling between the orbitals of the molecule and the orbitals of the electrodes attached to it. This lateral coupling is well known to cause broadening and shifting of the energy levels of the molecule; this, in turn, is expected to greatly modify the Nature Nanotechnology
2008 IEEE Industry Applications Society Annual Meeting, 2008
The present paper reports the approaches to design a punch press security system and the results ... more The present paper reports the approaches to design a punch press security system and the results of the first phase of design. The process of design of the system is based on the philosophy mechatronics design, with the aim of providing a safe product, reliable, high-quality and effective to increase the competitiveness of the company.
The electrocatalytic properties of nanoparticles depend on 2 their size, shape and composition 1,... more The electrocatalytic properties of nanoparticles depend on 2 their size, shape and composition 1,2. These properties are 3 typically probed by measuring the total electrocatalytic 4 reaction current of a large number of nanoparticles, but this 5 approach is time-consuming and can only measure the 6 average catalytic activity of the nanoparticles under study. 7 However, the identification of new catalysts requires the 8 ability to rapidly measure the properties of nanoparticles 9 synthesized under various conditions and, ideally, to measure 10 the electrocatalytic activity of individual nanoparticles. Here, 11 we show that a plasmonic-based electrochemical current-12 imaging technique 3 can simultaneously image and quantify 13 the electrocatalytic reactions of an array of 1.6 3 10 5 platinum 14 nanoparticles printed on an electrode surface, which could 15 facilitate high-throughput screening of the catalytic activities 16 of nanoparticles. We also show that the approach can be used 17 to image the electrocatalytic reaction current and measure 18 the cyclic voltammograms of single nanoparticles. 19 Scanning electrochemical microscopy (SECM) can be used to 20 rapidly screen the electrocatalytic Q2 of nanoparticles 4. However, 21 SECM relies on mechanical scanning of a microelectrode across a 22 sample surface, which limits the imaging speed and can interfere 23 with the electrocatalytic reactions of the nanoparticles 5. Methods 24 that can probe the catalytic reactions of individual nanoparticles 25 have also been developed 6-9 , including nanoelectrodes 8 and super-26 resolution fluorescence microscopy 9. In particular, ultramicroelec-27 trodes have been used to monitor current spikes associated with 28 individual collision events of nanoparticles dissolved in an electro-29 lyte 6,7. However, this non-imaging method cannot assign spikes to a 30 specific nanoparticle and it is difficult to measure the entire cyclic 31 voltammogram (CV) of each nanoparticle. 32 Unlike conventional electrochemical techniques (including 33 SECM), which measure the electrical current associated with chemi-34 cal reactions taking place on an electrode surface, our plasmonic-35 based electrochemical current imaging (P-ECi) approach measures 36 the conversion between oxidized and reduced species near the elec-37 trode 3,10-12. We have shown 3 that the plasmonic signal in P-ECi is 38 directly related to the electrical current, allowing us to determine 39 the current optically and to image the local current density of the 40 entire electrode surface quickly (microsecond to millisecond) and 41 non-invasively. This capability allows us to image and measure 42 the electrocatalytic current of multiple individual nanoparticles 43 versus time or potential, simultaneously. 44 Platinum nanoparticles are well known for their electrocatalytic 45 activities. Q3 An important example is the electrocatalytic reduction 46 of protons to generate hydrogen. To demonstrate the capability of P-ECi for high-throughput screening of the electrocatalytic reactions of platinum nanoparticles, we synthesized nanoparticles and LETTERS
In the molecular electronics field it is highly desirable to engineer the structure of molecules ... more In the molecular electronics field it is highly desirable to engineer the structure of molecules to achieve specific functions. In particular, diode (or rectification) behaviour in single molecules is an attractive device function. Here we study charge transport through symmetric tetraphenyl and non-symmetric diblock dipyrimidinyldiphenyl molecules covalently bound to two electrodes. The orientation of the diblock is controlled through a selective deprotection strategy, and a method in which the electrode-electrode distance is modulated unambiguously determines the current-voltage characteristics of the single-molecule device. The diblock molecule exhibits pronounced rectification behaviour compared with its homologous symmetric block, with current flowing from the dipyrimidinyl to the diphenyl moieties. This behaviour is interpreted in terms of localization of the wave function of the hole ground state at one end of the diblock under the applied field. At large forward current, the molecular diode becomes unstable and quantum point contacts between the electrodes form.
Practice and Experience in Advanced Research Computing
We describe the design motivation, architecture, deployment, and early operations of Expanse, a 5... more We describe the design motivation, architecture, deployment, and early operations of Expanse, a 5 Petaflop, heterogenous HPC system that entered production as an NSF-funded resource in December 2020 and will be operated on behalf of the national community for five years. Expanse will serve a broad range of computational science and engineering through a combination of standard batchoriented services, and by extending the system to the broader CI ecosystem through science gateways, public cloud integration, support for high throughput computing, and composable systems. Expanse was procured, deployed, and put into production entirely during the COVID-19 pandemic, adhering to stringent public health guidelines throughout. Nevertheless, the planned production date of October 1, 2020 slipped by only two months, thanks to thorough planning, a dedicated team of technical and administrative experts, collaborative vendor partnerships, and a commitment to getting an important national computing resource to the community at a time of great need.
The size and frequency of wildland fires in the western United States have dramatically increased... more The size and frequency of wildland fires in the western United States have dramatically increased in recent years. On high-fire-risk days, a small fire ignition can rapidly grow and become out of control. Early detection of fire ignitions from initial smoke can assist the response to such fires before they become difficult to manage. Past deep learning approaches for wildfire smoke detection have suffered from small or unreliable datasets that make it difficult to extrapolate performance to real-world scenarios. In this work, we present the Fire Ignition Library (FIgLib), a publicly available dataset of nearly 25,000 labeled wildfire smoke images as seen from fixed-view cameras deployed in Southern California. We also introduce SmokeyNet, a novel deep learning architecture using spatiotemporal information from camera imagery for real-time wildfire smoke detection. When trained on the FIgLib dataset, SmokeyNet outperforms comparable baselines and rivals human performance. We hope tha...
Urban flooding is one of the major issues in many parts of the world and its management often cha... more Urban flooding is one of the major issues in many parts of the world and its management often challenging. Here we present Internet of Things (IoT) approach for monitoring urban flooding in the City of Colima, Mexico. A network of water level and weather sensors have been developed along with a web-based data platform integrated with IoT techniques to retrieve data using 3G/4G and Wi-Fi networks. The developed architecture uses the Message Queuing Telemetry Transport protocol to send real-time data packages from fixed nodes to a server that stores retrieved data in a non-relational database. Data can be accessed and displayed through different queries and graphical representations, allowing future use in flood analysis and prediction. Additionally, machine learning algorithms are integrated into the system for short-range water level predictions at different nodes of the network.
, 619-997-3562 Ismael Perez earned his BA degree from San Diego State University in May, 2014. He... more , 619-997-3562 Ismael Perez earned his BA degree from San Diego State University in May, 2014. He graduated cum laude with a major in mathematics with an emphasis in computational science.
En este trabajo se presentan datos recientes obtenidos en trabajos efectuados en el sitio de Sond... more En este trabajo se presentan datos recientes obtenidos en trabajos efectuados en el sitio de Sondor, uno de los principales monumentos arqueológicos del periodo inca, ubicado en la ruta del camino inca entre Cuzco y Vilcashuamán, en el departamento de ApurÃmac. Se hicieron estudios sobre la distribución arquitectónica y al patrón de enterramiento, que condujeron a plantear hipótesis sobre las prácticas rituales y ceremonias relacionadas con la capacocha. Esto se llevó a cabo en el marco de trabajos orientados a promover la investigación y puesta en valor del sitio con fines culturales y turÃsticos.
Since hydrophilic matrices were proposed for controlled drug delivery, many polymeric excipients ... more Since hydrophilic matrices were proposed for controlled drug delivery, many polymeric excipients have been studied in order to make drug release fit the desired profiles. It has been pointed out that lambda-carrageenan, a sulphated polymer from algae, can suitably control the release rate of basic drugs from hydrophilic matrices with no need for complex technological processes. In this work, we propose a method to monitor morphologically the interaction between lambda-carrageenan and dexchlorpheniramine maleate (D-CPM), in order to find out how the release profiles can be so easily controlled. To this end, solutions of both polymer and drug were prepared at very low concentration. Solutions were mixed and samples were taken every hour over a period of 20 h. The characterization technique employed, atomic force microscopy (AFM), provides a high resolution, allowing to show the three-dimensional morphology of the samples within the nanometric scale. The results demonstrate that lambda-carrageenan is able to nanoencapsulate spontaneously D-CPM molecules, which offers the possibility to easily control the release rate of the drug. This work has moreover demonstrated the suitability of AFM for the specific case of the on-time monitoring of interaction processes that happen in pharmaceutical systems.
In recent years, various single-molecule electronic components have been demonstrated 1. However,... more In recent years, various single-molecule electronic components have been demonstrated 1. However, it remains difficult to predict accurately the conductance of a single molecule and to control the lateral coupling between the orbitals of the molecule and the orbitals of the electrodes attached to it. This lateral coupling is well known to cause broadening and shifting of the energy levels of the molecule; this, in turn, is expected to greatly modify the Nature Nanotechnology
2008 IEEE Industry Applications Society Annual Meeting, 2008
The present paper reports the approaches to design a punch press security system and the results ... more The present paper reports the approaches to design a punch press security system and the results of the first phase of design. The process of design of the system is based on the philosophy mechatronics design, with the aim of providing a safe product, reliable, high-quality and effective to increase the competitiveness of the company.
The electrocatalytic properties of nanoparticles depend on 2 their size, shape and composition 1,... more The electrocatalytic properties of nanoparticles depend on 2 their size, shape and composition 1,2. These properties are 3 typically probed by measuring the total electrocatalytic 4 reaction current of a large number of nanoparticles, but this 5 approach is time-consuming and can only measure the 6 average catalytic activity of the nanoparticles under study. 7 However, the identification of new catalysts requires the 8 ability to rapidly measure the properties of nanoparticles 9 synthesized under various conditions and, ideally, to measure 10 the electrocatalytic activity of individual nanoparticles. Here, 11 we show that a plasmonic-based electrochemical current-12 imaging technique 3 can simultaneously image and quantify 13 the electrocatalytic reactions of an array of 1.6 3 10 5 platinum 14 nanoparticles printed on an electrode surface, which could 15 facilitate high-throughput screening of the catalytic activities 16 of nanoparticles. We also show that the approach can be used 17 to image the electrocatalytic reaction current and measure 18 the cyclic voltammograms of single nanoparticles. 19 Scanning electrochemical microscopy (SECM) can be used to 20 rapidly screen the electrocatalytic Q2 of nanoparticles 4. However, 21 SECM relies on mechanical scanning of a microelectrode across a 22 sample surface, which limits the imaging speed and can interfere 23 with the electrocatalytic reactions of the nanoparticles 5. Methods 24 that can probe the catalytic reactions of individual nanoparticles 25 have also been developed 6-9 , including nanoelectrodes 8 and super-26 resolution fluorescence microscopy 9. In particular, ultramicroelec-27 trodes have been used to monitor current spikes associated with 28 individual collision events of nanoparticles dissolved in an electro-29 lyte 6,7. However, this non-imaging method cannot assign spikes to a 30 specific nanoparticle and it is difficult to measure the entire cyclic 31 voltammogram (CV) of each nanoparticle. 32 Unlike conventional electrochemical techniques (including 33 SECM), which measure the electrical current associated with chemi-34 cal reactions taking place on an electrode surface, our plasmonic-35 based electrochemical current imaging (P-ECi) approach measures 36 the conversion between oxidized and reduced species near the elec-37 trode 3,10-12. We have shown 3 that the plasmonic signal in P-ECi is 38 directly related to the electrical current, allowing us to determine 39 the current optically and to image the local current density of the 40 entire electrode surface quickly (microsecond to millisecond) and 41 non-invasively. This capability allows us to image and measure 42 the electrocatalytic current of multiple individual nanoparticles 43 versus time or potential, simultaneously. 44 Platinum nanoparticles are well known for their electrocatalytic 45 activities. Q3 An important example is the electrocatalytic reduction 46 of protons to generate hydrogen. To demonstrate the capability of P-ECi for high-throughput screening of the electrocatalytic reactions of platinum nanoparticles, we synthesized nanoparticles and LETTERS
In the molecular electronics field it is highly desirable to engineer the structure of molecules ... more In the molecular electronics field it is highly desirable to engineer the structure of molecules to achieve specific functions. In particular, diode (or rectification) behaviour in single molecules is an attractive device function. Here we study charge transport through symmetric tetraphenyl and non-symmetric diblock dipyrimidinyldiphenyl molecules covalently bound to two electrodes. The orientation of the diblock is controlled through a selective deprotection strategy, and a method in which the electrode-electrode distance is modulated unambiguously determines the current-voltage characteristics of the single-molecule device. The diblock molecule exhibits pronounced rectification behaviour compared with its homologous symmetric block, with current flowing from the dipyrimidinyl to the diphenyl moieties. This behaviour is interpreted in terms of localization of the wave function of the hole ground state at one end of the diblock under the applied field. At large forward current, the molecular diode becomes unstable and quantum point contacts between the electrodes form.
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Papers by Ismael Perez