404 research outputs found
Correction to: Using Aliphatic Alcohols to Tune Benzene Adsorption in MAF-6 (Advanced Theory and Simulations, (2019), 2, 11, (1900112), 10.1002/adts.201900112)
No full textAdv. Theory Simul., 2019, 2, 1900112 This paper was incorrectly published with only Sofia Calero as corresponding author. Both Juan Jose Gutierrez-Sevillano and Sofia Calero are corresponding authors of this paper. The correct affiliations are therefore reproduced below. Dr. A. Martin-Calvo, Dr. J. J. Gutierrez-Sevillano, Prof. S. Calero Department of Physical, Chemical and Natural Systems University Pablo de Olavide Sevilla 41013, Spain E-mail: [email protected]; [email protected] Dr. D. Dubbeldam Van't Hoff Institute for Molecular Sciences University of Amsterdam Amsterdam 1090 GD, The Netherlands
Un bucle de crisis medioambientales. Una conversación con Winka Dubbeldam
No full textWinka Dubbeldam\u27s career is undoubtedly impressive, both professionally and academically. A founding partner of Archi-Tectonics NYC, her firm has distinguished itself through its international focus and the diversity of scales of its work. The firm has built on four continents, and in this sense, Winka is a 21st-century professional, aware that her field of action extends across the globe.
In the academic sphere, she served as chair of the Department of Architecture at the University of Pennsylvania School of Design [2013–23], where she taught alongside figures such as David Leatherbarrow, Thom Mayne, Ali Rahim, and Marion Weiss, among others. She promoted the creation of an advanced Robotics Lab and currently directs the Advanced Research Institute (ARI). Other renowned architects practiced and taught in Philadelphia, home to the institution, with Louis I. Kahn and Eero Saarinen among the most prominent.
From this vantage point, the conversation turns to the present and future of architecture and its teaching, with a special emphasis on the impact of new technologies.La trayectoria de Winka Dubbeldam resulta, sin duda, impresionante, tanto en su vertiente profesional como académica. Socia fundadora de Archi-Tectonics NYC, su oficina se ha distinguido por su enfoque internacional y por la diversidad de escalas de su trabajo. La firma ha construido en cuatro continentes y, en este sentido, Winka es una profesional del siglo XXI, consciente de que su campo de acción se extiende a todo el planeta.
En el ámbito académico ocupó la presidencia del Departamento de Arquitectura de la Escuela de Diseño de la Universidad de Pensilvania [2013–23], donde ejerció la docencia junto a figuras de la talla de David Leatherbarrow, Thom Mayne, Ali Rahim y Marion Weiss, entre otros. Impulsó la creación de un avanzado Laboratorio Robótico y actualmente dirige el Centro de Investigación Avanzada (ARI). Otros arquitectos de renombre ejercieron la profesión y la docencia en Filadelfia, sede de la institución, con Louis I. Kahn y Eero Saarinen entre los más destacados.
Desde esta atalaya la conversación discurre sobre el presente y el futuro de la arquitectura y de su docencia, con especial hincapié en el impacto producido por las nuevas tecnologías
The RASPA2024 workshop in Delft, The Netherlands
No full textIn the days prior to the Thermodynamics2024 conference in Delft (The Netherlands), the annual RASPA workshop/school took place at Delft University of Technology with 55 participants (both industry and academics) from all over the world. RASPA is a popular open-source molecular simulation software package for studying adsorption and diffusion in fluids and nanoporous materials, and it is especially popular in the metal-organic frameworks and zeolite communities. The main contributors to RASPA (and organisers of the RASPA workshop/school in Delft) are David Dubbeldam, Sofia Calero, Randall Q. Snurr, and Thijs J.H. Vlugt. In this short paper, we briefly explain the history of RASPA and the RASPA workshops, as well as our strategy to teach the workshop participants how to use RASPA for their specific research projects.</p
CCDC 1864837: Experimental Crystal Structure Determination
No full textCUBGIS : catena-((μ-1,4-diazabicyclo[2.2.2]octane)-bis(μ-2,3,5,6-tetramethylterepthalato)-di-zinc hydrate unknown solvate) Space Group: P 4/n b m (125), Cell: a 15.4459(18)Å b 15.4459(18)Å c 9.8037(12)Å, α 90° β 90° γ 90° Related Article: Nicholas C. Burtch, Ian M. Walton, Julian T. Hungerford, Cody R. Morelock, Yang Jiao, Yurn Heinen, Yu-Sheng Chen, Andrey A. Yakovenko, Wenqian Xu, David Dubbeldam, Krista S. Walton|2019|Nature Chemistry|12|186|doi:10.1038/s41557-019-0374-
Heats of Adsorption for Seven Gases in Three Metal-Organic Frameworks: Systematic Comparison of Experiment and Simulation
No full textFarrusseng, David Daniel, Cecile Gaudillere, Cyril Ravon, Ugon Schuurman, Yves Mirodatos, Claude Dubbeldam, David Frost, Houston Snurr, Randall Q.The heat of adsorption is an important parameter for gas separation and storage applications in porous materials such as metal-organic frameworks (MOFs). There are, however, few systematic studies available in the MOF literature. Many papers report results for only one MOF and often only for a single gas. In this work, systematic experimental measurements by TAP-2 are reported for the heats of adsorption of seven gases in three MOFs. The gases are Kr, Xe, N-2, CO2, CH4, n-C4H10. and i-C4H10. The MOFs studied are IRMOF-1, IRMOF-3,and HKUST-1. The data set provides a valuable test for molecular simulation. The simulation results suggest that structural differences in HKUST-1 experimental samples may lead to differing heats of adsorption
CCDC 1864838: Experimental Crystal Structure Determination
No full textCUBGOY : catena-((μ-1,4-diazabicyclo[2.2.2]octane)-bis(μ-2,3,5,6-tetramethylterepthalato)-di-zinc hydrate unknown solvate) Space Group: P 4/n b m (125), Cell: a 15.4473(18)Å b 15.4473(18)Å c 9.8255(12)Å, α 90° β 90° γ 90° Related Article: Nicholas C. Burtch, Ian M. Walton, Julian T. Hungerford, Cody R. Morelock, Yang Jiao, Yurn Heinen, Yu-Sheng Chen, Andrey A. Yakovenko, Wenqian Xu, David Dubbeldam, Krista S. Walton|2019|Nature Chemistry|12|186|doi:10.1038/s41557-019-0374-
CCDC 1864833: Experimental Crystal Structure Determination
No full textCUBFOX : catena-((μ-1,4-diazabicyclo[2.2.2]octane)-bis(μ-2,3,5,6-tetramethylterepthalato)-di-zinc hydrate unknown solvate) Space Group: P 4/n b m (125), Cell: a 15.4296(13)Å b 15.4296(13)Å c 9.9198(9)Å, α 90° β 90° γ 90° Related Article: Nicholas C. Burtch, Ian M. Walton, Julian T. Hungerford, Cody R. Morelock, Yang Jiao, Yurn Heinen, Yu-Sheng Chen, Andrey A. Yakovenko, Wenqian Xu, David Dubbeldam, Krista S. Walton|2019|Nature Chemistry|12|186|doi:10.1038/s41557-019-0374-
CCDC 1864835: Experimental Crystal Structure Determination
No full textCUBGAK : catena-((μ-1,4-diazabicyclo[2.2.2]octane)-bis(μ-2,3,5,6-tetramethylterepthalato)-di-zinc hydrate unknown solvate) Space Group: P 4/n b m (125), Cell: a 15.4258(17)Å b 15.4258(17)Å c 9.8256(11)Å, α 90° β 90° γ 90° Related Article: Nicholas C. Burtch, Ian M. Walton, Julian T. Hungerford, Cody R. Morelock, Yang Jiao, Yurn Heinen, Yu-Sheng Chen, Andrey A. Yakovenko, Wenqian Xu, David Dubbeldam, Krista S. Walton|2019|Nature Chemistry|12|186|doi:10.1038/s41557-019-0374-
CCDC 1864839: Experimental Crystal Structure Determination
No full textCUBGUE : catena-((μ-1,4-diazabicyclo[2.2.2]octane)-bis(μ-2,3,5,6-tetramethylterepthalato)-di-zinc hydrate unknown solvate) Space Group: P 4/n b m (125), Cell: a 15.4654(14)Å b 15.4654(14)Å c 10.1109(10)Å, α 90° β 90° γ 90° Related Article: Nicholas C. Burtch, Ian M. Walton, Julian T. Hungerford, Cody R. Morelock, Yang Jiao, Yurn Heinen, Yu-Sheng Chen, Andrey A. Yakovenko, Wenqian Xu, David Dubbeldam, Krista S. Walton|2019|Nature Chemistry|12|186|doi:10.1038/s41557-019-0374-
CCDC 1864842: Experimental Crystal Structure Determination
No full textCUBHIT : catena-((μ-1,4-diazabicyclo[2.2.2]octane)-bis(μ-2,3,5,6-tetramethylterepthalato)-di-zinc hydrate unknown solvate) Space Group: P 4/n b m (125), Cell: a 15.4327(13)Å b 15.4327(13)Å c 9.8851(9)Å, α 90° β 90° γ 90° Related Article: Nicholas C. Burtch, Ian M. Walton, Julian T. Hungerford, Cody R. Morelock, Yang Jiao, Yurn Heinen, Yu-Sheng Chen, Andrey A. Yakovenko, Wenqian Xu, David Dubbeldam, Krista S. Walton|2019|Nature Chemistry|12|186|doi:10.1038/s41557-019-0374-
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