Search Results - "Gunter, Dan"

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis by Ong, Shyue Ping, Richards, William Davidson, Jain, Anubhav, Hautier, Geoffroy, Kocher, Michael, Cholia, Shreyas, Gunter, Dan, Chevrier, Vincent L., Persson, Kristin A., Ceder, Gerbrand

“…► Python Materials Genomics (pymatgen) is a robust, open-source library for materials analysis. ► Well-tested set of structure and thermodynamic analyses…”
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Commentary: The Materials Project: A materials genome approach to accelerating materials innovation by Jain, Anubhav, Ong, Shyue Ping, Hautier, Geoffroy, Chen, Wei, Richards, William Davidson, Dacek, Stephen, Cholia, Shreyas, Gunter, Dan, Skinner, David, Ceder, Gerbrand, Persson, Kristin A.

“…Accelerating the discovery of advanced materials is essential for human welfare and sustainable, clean energy. In this paper, we introduce the Materials…”
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Report on the Third Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE3) by Katz, Daniel S., Choi, Sou-Cheng T., Niemeyer, Kyle E., Hetherington, James, Löffler, Frank, Gunter, Dan, Idaszak, Ray, Brandt, Steven R., Miller, Mark A., Gessing, Sandra, Jones, Nick D., Weber, Nic, Marru, Suresh, Allen, Gabrielle, Penzenstadler, Birgit, Venters, Colin C., Davis, Ethan, Hwang, Lorraine, Todorov, Ilian, Patra, Abani, De Val-Borro, Miguel

“…This report records and discusses the Third Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE3). The report includes a description…”
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The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles by Ong, Shyue Ping, Cholia, Shreyas, Jain, Anubhav, Brafman, Miriam, Gunter, Dan, Ceder, Gerbrand, Persson, Kristin A.

“…In this paper, we describe the Materials Application Programming Interface (API), a simple, flexible and efficient interface to programmatically query and…”
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KBase: The United States Department of Energy Systems Biology Knowledgebase by Arkin, Adam P, Cottingham, Robert W, Henry, Christopher S, Harris, Nomi L, Stevens, Rick L, Maslov, Sergei, Dehal, Paramvir, Ware, Doreen, Perez, Fernando, Canon, Shane, Sneddon, Michael W, Henderson, Matthew L, Riehl, William J, Murphy-Olson, Dan, Chan, Stephen Y, Kamimura, Roy T, Kumari, Sunita, Drake, Meghan M, Brettin, Thomas S, Glass, Elizabeth M, Chivian, Dylan, Gunter, Dan, Weston, David J, Allen, Benjamin H, Baumohl, Jason, Best, Aaron A, Bowen, Ben, Brenner, Steven E, Bun, Christopher C, Chandonia, John-Marc, Chia, Jer-Ming, Colasanti, Ric, Conrad, Neal, Davis, James J, Davison, Brian H, DeJongh, Matthew, Devoid, Scott, Dietrich, Emily, Dubchak, Inna, Edirisinghe, Janaka N, Fang, Gang, Faria, José P, Frybarger, Paul M, Gerlach, Wolfgang, Gerstein, Mark, Greiner, Annette, Gurtowski, James, Haun, Holly L, He, Fei, Jain, Rashmi, Joachimiak, Marcin P, Keegan, Kevin P, Kondo, Shinnosuke, Kumar, Vivek, Land, Miriam L, Meyer, Folker, Mills, Marissa, Novichkov, Pavel S, Oh, Taeyun, Olsen, Gary J, Olson, Robert, Parrello, Bruce, Pasternak, Shiran, Pearson, Erik, Poon, Sarah S, Price, Gavin A, Ramakrishnan, Srividya, Ranjan, Priya, Ronald, Pamela C, Schatz, Michael C, Seaver, Samuel M D, Shukla, Maulik, Sutormin, Roman A, Syed, Mustafa H, Thomason, James, Tintle, Nathan L, Wang, Daifeng, Xia, Fangfang, Yoo, Hyunseung, Yoo, Shinjae, Yu, Dantong

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Automated annotation of scientific texts for ML-based keyphrase extraction and validation by Amusat, Oluwamayowa O, Hegde, Harshad, Mungall, Christopher J, Giannakou, Anna, Byers, Neil P, Gunter, Dan, Fagnan, Kjiersten, Ramakrishnan, Lavanya

“…Advanced omics technologies and facilities generate a wealth of valuable data daily; however, the data often lack the essential metadata required for…”
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Analysis of backwash settings to maximize net water production in an engineering-scale ultrafiltration system for water reuse by Alhussaini, Mohammed A., Binger, Zachary M., Souza-Chaves, Bianca M., Amusat, Oluwamayowa O., Park, Jangho, Bartholomew, Timothy V., Gunter, Dan, Achilli, Andrea

“…Ultrafiltration (UF) has been widely utilized as water pretreatment for different applications especially in water reuse. The UF system operation is…”
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The IDAES process modeling framework and model library—Flexibility for process simulation and optimization by Lee, Andrew, Ghouse, Jaffer H., Eslick, John C., Laird, Carl D., Siirola, John D., Zamarripa, Miguel A., Gunter, Dan, Shinn, John H., Dowling, Alexander W., Bhattacharyya, Debangsu, Biegler, Lorenz T., Burgard, Anthony P., Miller, David C.

“…Energy systems and manufacturing processes of the 21st century are becoming increasingly dynamic and interconnected, which require new capabilities to…”
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Scaling up workflow-based applications by Callaghan, Scott, Deelman, Ewa, Gunter, Dan, Juve, Gideon, Maechling, Philip, Brooks, Christopher, Vahi, Karan, Milner, Kevin, Graves, Robert, Field, Edward, Okaya, David, Jordan, Thomas

“…Scientific applications, often expressed as workflows are making use of large-scale national cyberinfrastructure to explore the behavior of systems, search for…”
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The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles by Ong, Shyue Ping, Cholia, Shreyas, Jain, Anubhav, Brafman, Miriam, Gunter, Dan, Ceder, Gerbrand, Persson, Kristin A.

“…Here in this paper, we describe the Materials Application Programming Interface (API), a simple, flexible and efficient interface to programmatically query and…”
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Next Generation Multi-Scale Process Systems Engineering Framework by Miller, David C., Siirola, John D., Agarwal, Deb, Burgard, Anthony P., Lee, Andrew, Eslick, John C., Nicholson, Bethany, Laird, Carl, Biegler, Lorenz T., Bhattacharyya, Debangsu, Sahinidis, Nikolaos V., Grossmann, Ignacio E., Gounaris, Chrysanthos E., Gunter, Dan

“…The IDAES PSE framework represents a new approach for the design and optimization of innovative steady state and dynamic processes by integrating an…”
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KBase: The United States Department of Energy Systems Biology Knowledgebase by Arkin, Adam P., Cottingham, Robert W., Henry, Christopher S., Harris, Nomi L., Stevens, Rick L., Maslov, Sergei, Dehal, Paramvir, Ware, Doreen, Perez, Fernando, Canon, Shane, Sneddon, Michael W., Henderson, Matthew L., Riehl, William J., Murphy-Olson, Dan, Chan, Stephen Y., Kamimura, Roy T., Kumari, Sunita, Drake, Meghan M., Brettin, Thomas S., Glass, Elizabeth M., Chivian, Dylan, Gunter, Dan, Weston, David J., Allen, Benjamin H., Baumohl, Jason, Best, Aaron A., Bowen, Ben, Brenner, Steven E., Bun, Christopher C., Chandonia, John-Marc, Chia, Jer-Ming, Colasanti, Ric, Conrad, Neal, Davis, James J., Davison, Brian H., DeJongh, Matthew, Devoid, Scott, Dietrich, Emily, Dubchak, Inna, Edirisinghe, Janaka N., Fang, Gang, Faria, José P., Frybarger, Paul M., Gerlach, Wolfgang, Gerstein, Mark, Greiner, Annette, Gurtowski, James, Haun, Holly L., He, Fei, Jain, Rashmi, Joachimiak, Marcin P., Keegan, Kevin P., Kondo, Shinnosuke, Kumar, Vivek, Land, Miriam L., Meyer, Folker, Mills, Marissa, Novichkov, Pavel S., Oh, Taeyun, Olsen, Gary J., Olson, Robert, Parrello, Bruce, Pasternak, Shiran, Pearson, Erik, Poon, Sarah S., Price, Gavin A., Ramakrishnan, Srividya, Ranjan, Priya, Ronald, Pamela C., Schatz, Michael C., Seaver, Samuel M. D., Shukla, Maulik, Sutormin, Roman A., Syed, Mustafa H., Thomason, James, Tintle, Nathan L., Wang, Daifeng, Xia, Fangfang, Yoo, Hyunseung, Yoo, Shinjae, Yu, Dantong

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The IDAES process modeling framework and model library—Flexibility for process simulation and optimization by Lee, Andrew, Ghouse, Jaffer H., Eslick, John C., Laird, Carl D., Siirola, John D., Zamarripa, Miguel A., Gunter, Dan, Shinn, John H., Dowling, Alexander W., Bhattacharyya, Debangsu, Biegler, Lorenz T., Burgard, Anthony P., Miller, David C.

“…Energy systems and manufacturing processes of the 21st century are becoming increasingly dynamic and interconnected, which require new capabilities to…”
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Lessons learned working with protected assets in an open-source collaborative scientific software project by Beattie, Keith, Gunter, Dan

“…We describe a use-case for balancing the demands of commercial intellectual property and open-source in a collaborative scientific software project…”
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Metrics for heterogeneous scientific workflows: A case study of an earthquake science application by Callaghan, Scott, Maechling, Philip, Small, Patrick, Milner, Kevin, Juve, Gideon, Jordan, Thomas H, Deelman, Ewa, Mehta, Gaurang, Vahi, Karan, Gunter, Dan, Beattie, Keith, Brooks, Christopher

“…Scientific workflows are a common computational model for performing scientific simulations. They may include many jobs, many scientific codes, and many file…”
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Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis by Ong, Shyue Ping, Richards, William Davidson, Jain, Anubhav, Hautier, Geoffroy, Kocher, Michael, Cholia, Shreyas, Gunter, Dan, Chevrier, Vincent L., Persson, Kristin A., Ceder, Gerbrand

“…We present the Python Materials Genomics (pymatgen) library, a robust, open-source Python library for materials analysis. A key enabler in high-throughput…”
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Automated Annotation of Scientific Texts for ML-based Keyphrase Extraction and Validation by Amusat, Oluwamayowa O, Hegde, Harshad, Mungall, Christopher J, Giannakou, Anna, Byers, Neil P, Gunter, Dan, Fagnan, Kjiersten, Ramakrishnan, Lavanya

“…Database (2024), Vol. 2024: article ID baae093, 1-18 Advanced omics technologies and facilities generate a wealth of valuable data daily; however, the data…”
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Log summarization and anomaly detection for troubleshooting distributed systems by Gunter, D., Tierney, B.L., Brown, A., Swany, M., Bresnahan, J., Schopf, J.M.

“…Today's system monitoring tools are capable of detecting system failures such as host failures, OS errors, and network partitions in near-real time…”
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Scalable integrated performance analysis of multi-gigabit networks by Kissel, E., El-Hassany, A., Fernandes, G., Swany, M., Gunter, D., Samak, T., Schopf, J. M.

“…Monitoring and managing multi-gigabit networks requires dynamic adaptation to end-to-end performance characteristics. This paper presents a measurement…”
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A Community Contribution Framework for Sharing Materials Data with Materials Project by Huck, Patrick, Jain, Anubhav, Gunter, Dan, Winston, Donald, Persson, Kristin

“…As scientific discovery becomes increasingly data-driven, software platforms are needed to efficiently organize and disseminate data from disparate sources…”
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