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SMT-Aided Combinatorial Materials Discovery [chapter]

Stefano Ermon, Ronan Le Bras, Carla P. Gomes, Bart Selman, R. Bruce van Dover
2012 Lecture Notes in Computer Science  
We therefore enforce an ordering on the way phases are assigned to points K−1 k=1 (r 0,k ⇒ r 0,k−1 ) · · · K−1 j=1 Y i=0 ¬r i,j ⇒ K−1 k=j (r Y +1,k ⇒ r Y +1,k−1 ) where we set Y = 4.  ...  Formally, for every pair of points p, p such that r p,k ∧ r p ,k , there must exist a path P from p to p such that r j,k = TRUE for all j ∈ P.  ... 
doi:10.1007/978-3-642-31612-8_14 fatcat:ikvgy5sihneitcozpj3pysvmqy

Autonomous synthesis of metastable materials [article]

Sebastian Ament, Maximilian Amsler, Duncan R. Sutherland, Ming-Chiang Chang, Dan Guevarra, Aine B. Connolly, John M. Gregoire, Michael O. Thompson, Carla P. Gomes, R. Bruce van Dover
2021 arXiv   pre-print
Clearly, R 2 s reduces to R 2 if the noise variances are all equal.  ...  ., 1400 • C) and T min = T r .  ... 
arXiv:2101.07385v1 fatcat:tyrib43tnbartltqrj24dm3ama

Automating Crystal-Structure Phase Mapping: Combining Deep Learning with Constraint Reasoning [article]

Di Chen, Yiwei Bai, Sebastian Ament, Wenting Zhao, Dan Guevarra, Lan Zhou, Bart Selman, R. Bruce van Dover, John M. Gregoire, Carla P. Gomes
2021 arXiv   pre-print
Ronan LeBras, Theodoros Damoulas, John M Gregoire, Ashish Sabharwal, Carla P Gomes, and R Bruce Van Dover. Constraint reasoning and kernel clustering for pattern decomposition with scaling.  ...  Gregory Cohen, Saeed Afshar, Jonathan Tapson, and André van Schaik. Emnist: an extension of mnist to handwritten letters (2017). arXiv preprint arXiv:1702.05373, 2017.22.  ... 
arXiv:2108.09523v1 fatcat:sed2voog2nhm3iz4yp77xyqksm

Constraint Reasoning and Kernel Clustering for Pattern Decomposition with Scaling [chapter]

Ronan LeBras, Theodoros Damoulas, John M. Gregoire, Ashish Sabharwal, Carla P. Gomes, R. Bruce van Dover
2011 Lecture Notes in Computer Science  
In a preprocessing step, we compute the set r ij as P i normalized by its j th element. For example, if P 5 corresponds to {1, 2, 4}, then r 5,2 becomes {1/2, 1, 2}. Variables.  ...  It means that if p ki is set to be equal to j, then r ij also has to be a subset of q k .  ... 
doi:10.1007/978-3-642-23786-7_39 fatcat:xsz4ws67g5fcnmg7ipeuaktycy

Cosputtered composition-spread reproducibility established by high-throughput x-ray fluorescence

John M. Gregoire, Darren Dale, Alexander Kazimirov, Francis J. DiSalvo, R. Bruce van Dover
2010 Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films  
DiSalvo, and R. B. van Dover, Rev. Sci. Instrum. 80, 123905 ͑2009͒. .  ...  DiSalvo, and R. B. van Dover, Rev. Sci. Instrum. 80, 123905 ͑2009͒. 5 R. B. van Dover and L. F. Schneemeyer, Macromol. Rapid Commun. 25, 150 ͑2004͒. 6 V. Solé, E. Papillon, M. Cotte, P.  ... 
doi:10.1116/1.3478668 pmid:24932062 pmcid:PMC4043122 fatcat:e642ea2gcvgand4iwcjck42pwa

CRYSTAL: a multi-agent AI system for automated mapping of materials' crystal structures

Carla P. Gomes, Junwen Bai, Yexiang Xue, Johan Björck, Brendan Rappazzo, Sebastian Ament, Richard Bernstein, Shufeng Kong, Santosh K. Suram, R. Bruce van Dover, John M. Gregoire
2019 MRS Communications  
We introduce CRYSTAL, a multi-agent AI system for crystal-structure phase mapping. CRYSTAL is the first system that can automatically generate a portfolio of physically meaningful phase diagrams for expert-user exploration and selection. CRYSTAL outperforms previous methods to solve the example Pd-Rh-Ta phase diagram, enabling the discovery of a mixed-intermetallic methanol oxidation electrocatalyst. The integration of multiple data-knowledge sources and learning and reasoning algorithms,
more » ... ed with the exploitation of problem decompositions, relaxations, and parallelism, empowers AI to supersede human scientific data interpretation capabilities and enable otherwise inaccessible scientific discovery in materials science and beyond.
doi:10.1557/mrc.2019.50 fatcat:m6lyfrprhfdazgkjqxxt3ajzyy

High energy x-ray diffraction/x-ray fluorescence spectroscopy for high-throughput analysis of composition spread thin films

John M. Gregoire, Darren Dale, Alexander Kazimirov, Francis J. DiSalvo, R. Bruce van Dover
2009 Review of Scientific Instruments  
High-throughput crystallography is an important tool in materials research, particularly for the rapid assessment of structure-property relationships. We present a technique for simultaneous acquisition of diffraction images and fluorescence spectra on a continuous composition spread thin film using a 60 keV x-ray source. Subsequent noninteractive data processing provides maps of the diffraction profiles, thin film fiber texture, and composition. Even for highly textured films, our diffraction
more » ... echnique provides detection of diffraction from each family of Bragg reflections, which affords direct comparison of the measured profiles with powder patterns of known phases. These techniques are important for high throughput combinatorial studies as they provide structure and composition maps which may be correlated with performance trends within an inorganic library.
doi:10.1063/1.3274179 pmid:20059152 pmcid:PMC2852454 fatcat:7afoixd6hnhubcqs6lkun3my2a

Electrochemical Energy Generation and Storage. Fuel Cells and Lithium-Ion Batteries

Héctor D. Abruña, Futoshi Matsumoto, Jamie L. Cohen, Jing Jin, Chandrani Roychowdhury, Mark Prochaska, R. Bruce van Dover, Frank J. DiSalvo, Yasuyuki Kiya, Jay C. Henderson, Geoffrey R. Hutchison
2007 Bulletin of the Chemical Society of Japan  
Abruña, R. B. van Dover, Rev. Sci. Instrum. 2006, 77, 054104/1.  ...  Abruña, R. B. van Dover, Rev. Sci. Instrum. 2006, 77, 054104/1. Copyright 2006, American Institute of Physics.].  ... 
doi:10.1246/bcsj.80.1843 fatcat:dvukyk6vnvem5ggtfjdapgsxuq

Combinatorial investigation of magnetostriction in Fe–Ga and Fe–Ga–Al

Jason R. Hattrick-Simpers, Dwight Hunter, Corneliu M. Craciunescu, Kyu Sung Jang, Makoto Murakami, James Cullen, Manfred Wuttig, Ichiro Takeuchi, Samuel E. Lofland, Leonid Benderksy, Noble Woo, Robert Bruce Van Dover (+2 others)
2008 Applied Physics Letters  
doi:10.1063/1.2980034 fatcat:ybtr4jsfzzg67cwvtfzod2mrrq

Material and electrical characterization of stackable planar polysilicon TFT flash memory cell with metal nanocrystals and high-k dielectrics

Jaegoo Lee, Judy J. Cha, Sara C. Barron, David A. Muller, R. Bruce van Dover, Ebenezer K. Amponsah, Tuo-Hung Hou, Hassan Raza, Edwin C. Kan
2008 2008 IEEE International SOI Conference  
doi:10.1109/soi.2008.4656284 fatcat:fcqusnyo2fbkzhuzl4kl3oeeu4

Stackable nonvolatile memory with ultra thin polysilicon film and low-leakage (Ti,Dy)xOy for low processing temperature and low operating voltages

Jaegoo Lee, Judy J. Cha, Sara Barron, David A. Muller, R. Bruce van Dover, Ebenezer K. Amponsah, Tuo-Hung Hou, Hassan Raza, Edwin C. Kan
2011 Microelectronic Engineering  
We report the fabrication process as well as material and electrical characterization of ultra thin body (UTB) thin film transistors (TFTs) for stackable nonvolatile memories by using in situ phosphorous doped low-temperature polysilicon followed by the chemical mechanical polishing (CMP) process. The resulting polysilicon film is about 13 nm thick with approximately 10 19 cm À3 doping. Root mean square surface roughness below 1 nm is achieved. Metal nanocrystals and high-k dielectric are
more » ... ed for storage nodes and tunneling barriers to achieve low operating voltages. The number density and average diameter of nanocrystals embedded in the gate stack are 7.5 Â 10 11 cm À2 and 5.8 nm, respectively. Furthermore, scanning transmission electron microscopy (STEM), convergent beam electron diffraction (CBED) and electron energy loss spectroscopy (EELS) are performed for material characterization. The dielectric constant of the (Ti, Dy) x O y film is 35, and the off-state leakage current at À1 V bias and 2.8 nm equivalent oxide thickness is 5 Â 10 À7 A/cm 2 . We obtain a memory window of about 0.95 V with ±6 V program/erase voltages. Our results show that UTB TFT is a promising candidate for the three-dimensional integration in high-density nonvolatile memory applications.
doi:10.1016/j.mee.2009.04.021 fatcat:i5sq7enpfndfxmybjamxz4gbbm

Automated Phase Mapping with AgileFD and its Application to Light Absorber Discovery in the V–Mn–Nb Oxide System

Santosh K. Suram, Yexiang Xue, Junwen Bai, Ronan Le Bras, Brendan Rappazzo, Richard Bernstein, Johan Bjorck, Lan Zhou, R. Bruce van Dover, Carla P. Gomes, John M. Gregoire
2016 ACS Combinatorial Science  
Van Campen for assistance with collection of synchrotron XRD data.  ...  The computerautomated experiment employed a 200 W Hg(Xe) lamp (Newport/Oriel Apex) and an integrating sphere (Ocean Optics ISP-50-8-R-GT) fiber-coupled to a spectrometer (Spectral Products, Inc.  ... 
doi:10.1021/acscombsci.6b00153 pmid:28064478 fatcat:dqxfr7d4kjh5no7dv3shm3vfte

Page 46 of Delaware Medical Journal Vol. 27, Issue 2 [page]

1955 Delaware Medical Journal  
Van Vea. Georgetown SECRETARY, Norman L. Cannon, Wilmington Vick-PRESIDENT, E. Harold Mercer, Jr., Dover TREASURER, Charles Levy, Wilmington EXECUTIVE. SECRETARY, W.  ...  Clagett, Jr., Smyrna; R. J. Bishop (1956), Dover; G. SOCIETY ie eae F. J. DiCecco, S. G. R. Spong (1956), Dover. Meets Third Tuesday rt, H. W. Gray, R. C. Hayden, L. W 's Auxiliar N. L.  ... 

Page 197 of Delaware Medical Journal Vol. 12, Issue 8 [page]

1940 Delaware Medical Journal  
Van Valkenburgh. Alternates: C. M. Moyer, E. L. Stambaugh, J. R. Elliott, F. I. Hudson. Censors: H. LeCates, Bruce Barnes, A. C. Smoot. LAVAS STATE BOARD OF EALTH—1940 Stanley Werden: M.  ...  Hudson, Dover J. R. Elliott, Laurel ADVISORY COMMITTEE, WOMEN’S AUXILIARY W. Vaughn, W. W. Ellis, Delaware City C. B. Scull, Dover Wilmington G. Metzler, Bridgeville R. T.  ... 

Page 185 of Delaware Medical Journal Vol. 8, Issue 9 [page]

1936 Delaware Medical Journal  
R. Elliott, G. M. Van Valkenburgh. Alternates—Sussex County Bruce Barnes, Howard Lecates, K. J. Hocker. Delegate to A. M. A. CHARLES E. Waeaner, Wilmington Alternate to A. M. A.  ...  R. Mayerberg, Wilmington Wm. Marshall, Milford K. J. Hocker, Millville Committee on Hospitals R. C. Beebe, Lewes L. J. Jones, Wilmington Stanley Worden, Dover Committee on Necrology E. R.  ... 
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