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- Creator:
- Eckels, Joshua D.
- Description:
- The goal of the research was to train a surrogate model for the prediction of electric field distribution for a given electrospray emitter geometry design. The surrogate is to be used in reduced-fidelity modeling of electrospray thruster arrays. The code repository is included in the README.txt file.
- Keyword:
- Electrospray design, Martinez-Sanchez hyperboloid solution, and Electrospray engineering toolkit (ESPET)
- Citation to related publication:
- J.D. Eckels, C.B. Whittaker, B.A. Jorns, A.A. Gorodetsky, B. St. Peter, R.A. Dressler, “Simulation-based surrogate methodology of electric field for electrospray emitter geometry design and uncertainty quantification”, presented at the 37th International Electric Propulsion Conference, Boston, MA USA, June19-23, 2022 Available: https://www.electricrocket.org/IEPC_2022_Papers.html
- Discipline:
- Engineering
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- Creator:
- Hung, Adam, Enninful Adu, Challen, and Moore, Talia Y.
- Description:
- The CAD files can be opened by any CAD software. The code is in Arduino and Python. The URDF was generated using Solidworks.
- Keyword:
- robotics, omnidirectional, tripod, ballbot, gliding, and rolling
- Citation to related publication:
- Hung, A., Enninful Adu, C., Moore, T.Y. (in review), SKOOTR: A SKating, Omni-Oriented, Tripedal Robot for dynamically stable indoor navigation. IEEE ICRA
- Discipline:
- Engineering
-
Supporting data: Domain-agnostic predictions of nanoscale interactions in proteins and nanoparticles
- Creator:
- Saldinger, Jacob, Raymond, Matt , Elvati, Paolo, and Violi, Angela
- Description:
- The accurate and rapid prediction of generic nanoscale interactions is a challenging problem with broad applications. Much of biology functions at the nanoscale, and our ability to manipulate materials and purposefully engage biological machinery requires knowledge of nano-bio interfaces. While several protein-protein interaction models are available, they leverage protein-specific information, limiting their abstraction to other structures. Here, we present NeCLAS, a general, and rapid machine learning pipeline that predicts the location of nanoscale interactions, providing human-intelligible predictions. Two key aspects distinguish NeCLAS: coarse-grained representations, and the use of environmental features to encode the chemical neighborhood. We showcase NeCLAS with challenges for protein-protein, protein-nanoparticle and nanoparticle-nanoparticle systems, demonstrating that NeCLAS replicates computationally- and experimentally-observed interactions. NeCLAS outperforms current nanoscale prediction models, and it shows cross-domain validity, qualifying as a tool for basic research, rapid prototyping, and design of nanostructures., Software: - To reproduce all-atom molecular dynamics (MD) NAMD is required (version 2.14 or later is suggested). NAMD software and documentation can be found at https://www.ks.uiuc.edu/Research/namd/, - To reproduce coarse-grained MD simulations, LAMMPS (version 29 Sep 2021 - Update 2 or later is suggested). LAMMPS software and documentation can be found at https://www.lammps.org, - To rebuild free energy profiles, the PLUMED plugin (version 2.6) was used. PLUMED software and documentation can be found at https://www.plumed.org/ , and - To generate force matching potentials, the was used the OpenMSCG software was used. OpenMSCG software and documentation can be found at https://software.rcc.uchicago.edu/mscg/
- Keyword:
- Neural Networks, Proteins, Dimensionality Reduction, Nanoparticles, and Coarse-Graining
- Citation to related publication:
- https://www.biorxiv.org/content/10.1101/2022.08.09.503361v2
- Discipline:
- Science
-
- Creator:
- Arthurs, Christopher J., Khlebnikov, Rostislav, Melville, Alexander, Marčan, Marija, Gomez, Alberto, Dillon-Murphy, Desmond, Cuomo, Federica, Vieira, Miguel, Schollenberger, Jonas, Lynch, Sabrina, Tossas-Betancourt, Christopher, Iyer, Kritika, Hopper, Sara, Livingston, Elizabeth, Youssefi, Pouya, Noorani, Alia, Ben Ahmed, Sabrina, Nauta, Foeke J.N., van Bakel, Theodorus M.J., Ahmed, Yunus, van Bakel, Petrus A.J., Mynard, Jonathan, Di Achille, Paolo, Gharahi, Hamid, Lau, Kevin D., Filonova, Vasilina, Aguirre, Miquel, Nama, Nitesh, Xiao, Nan, Baek, Seungik, Garikipati, Krishna, Sahni, Onkar, Nordsletten, David, and Figueroa, Carlos A.
- Description:
- This repository contains the source code for the CRIMSON Flow Solver as required in the PLOS Computational Biology publication: CRIMSON: An Open-Source Software Framework for Cardiovascular Integrated Modelling and Simulation by the same authors., This is a snapshot of the software. Please visit https://github.com/carthurs/CRIMSONFlowsolver/releases/tag/PLOS_Comp_Bio & www.crimson.software for more general information and the most up to date version of the software. , and Software can be compiled in Cygwin and Linux.
- Keyword:
- Blood Flow Simulation, Patient-specific, Open-source Software, Image-based simulation, Cardiovascular Medical Image, Segmentation, and Finite Element Simulation
- Citation to related publication:
- CRIMSON: An Open-Source Software Framework for Cardiovascular Integrated Modelling and Simulation C.J. Arthurs, R. Khlebnikov, A. Melville, M. Marčan, A. Gomez, D. Dillon-Murphy, F. Cuomo, M.S. Vieira, J. Schollenberger, S.R. Lynch, C. Tossas-Betancourt, K. Iyer, S. Hopper, E. Livingston, P. Youssefi, A. Noorani, S. Ben Ahmed, F.J.H. Nauta, T.M.J. van Bakel, Y. Ahmed, P.A.J. van Bakel, J. Mynard, P. Di Achille, H. Gharahi, K. D. Lau, V. Filonova, M. Aguirre, N. Nama, N. Xiao, S. Baek, K. Garikipati, O. Sahni, D. Nordsletten, C.A. Figueroa bioRxiv 2020.10.14.339960; doi: https://doi.org/10.1101/2020.10.14.339960 and Arthurs, C., Khlebnikov, R., Melville, A., Marčan, M., Gomez, A., Dillon-Murphy, D., Cuomo, F., Vieira, M., Schollenberger, J., Lynch, S., Tossas-Betancourt, C., Iyer, K., Hopper, S., Livingston, E., Youssefi, P., Noorani, A., Ben Ahmed, S., Nauta, F., van Bakel, T., Ahmed, Y., van Bakel, P., Mynard, J., Di Achille, P., Gharahi, H., Lau, K., Filonova, V., Aguirre, M., Nama, N., Xiao, N., Baek, S., Garikipati, K., Sahni, O., Nordsletten, D., Figueroa, C. (2021). CRIMSON open source project - Graphical User Interface (GUI) Source Code for PLOS Computational Biology [Data set]. University of Michigan - Deep Blue. https://doi.org/10.7302/679b-dw96
- Discipline:
- Engineering and Health Sciences
-
- Creator:
- Arthurs, Christopher J., Khlebnikov, Rostislav, Melville, Alexander, Marčan, Marija, Gomez, Alberto, Dillon-Murphy, Desmond, Cuomo, Federica, Vieira, Miguel, Schollenberger, Jonas, Lynch, Sabrina, Tossas-Betancourt, Christopher, Iyer, Kritika, Hopper, Sara, Livingston, Elizabeth, Youssefi, Pouya, Noorani, Alia, Ben Ahmed, Sabrina, Nauta, Foeke J.N., van Bakel, Theodorus M.J., Ahmed, Yunus, van Bakel, Petrus A.J., Mynard, Jonathan, Di Achille, Paolo, Gharahi, Hamid, Lau, Kevin D., Filonova, Vasilina, Aguirre, Miquel, Nama, Nitesh, Xiao, Nan, Baek, Seungik, Garikipati, Krishna, Sahni, Onkar, Nordsletten, David, and Figueroa, Carlos A.
- Description:
- This repository contains the source code for the CRIMSON GUI, as required in the PLOS Computational Biology publication: CRIMSON: An Open-Source Software Framework for Cardiovascular Integrated Modelling and Simulation by the same authors., This is a snapshot of the software; build dependencies can be found at https://doi.org/10.7302/ssj9-n788. Please visit https://github.com/carthurs/CRIMSONGUI/releases/tag/PLOS_Comp_Bio & www.crimson.software for more general information and the most up to date version of the software., and Software can be compiled in Windows.
- Keyword:
- Blood Flow Simulation, Patient-specific, Open-source Software, Image-based simulation, Cardiovascular Medical Image, Segmentation, and Finite Element Simulation
- Citation to related publication:
- CRIMSON: An Open-Source Software Framework for Cardiovascular Integrated Modelling and Simulation C.J. Arthurs, R. Khlebnikov, A. Melville, M. Marčan, A. Gomez, D. Dillon-Murphy, F. Cuomo, M.S. Vieira, J. Schollenberger, S.R. Lynch, C. Tossas-Betancourt, K. Iyer, S. Hopper, E. Livingston, P. Youssefi, A. Noorani, S. Ben Ahmed, F.J.H. Nauta, T.M.J. van Bakel, Y. Ahmed, P.A.J. van Bakel, J. Mynard, P. Di Achille, H. Gharahi, K. D. Lau, V. Filonova, M. Aguirre, N. Nama, N. Xiao, S. Baek, K. Garikipati, O. Sahni, D. Nordsletten, C.A. Figueroa bioRxiv 2020.10.14.339960; doi: https://doi.org/10.1101/2020.10.14.339960 and Computational Vascular Biomechanics Lab @ the University of Michigan and other collaborators, The Qt Company, NSIS Team and contributors, PostgreSQL Global Development Group, Oracle Corporation, Kitware. CRIMSON open source project - Build Dependencies [Data set], (2021). University of Michigan - Deep Blue. https://doi.org/10.7302/ssj9-n788
- Discipline:
- Health Sciences and Engineering