Zobrazeno 1 - 10
of 3 235
pro vyhledávání: '"Advincula A"'
Water's ability to autoionize into hydroxide and hydronium ions profoundly influences surface properties, rendering interfaces either basic or acidic. While it is well-established that the water-air interface is acidic, a critical knowledge gap exist
Externí odkaz:
http://arxiv.org/abs/2408.04487
Autor:
Kaur, Harveen, Della Pia, Flaviano, Batatia, Ilyes, Advincula, Xavier R., Shi, Benjamin X., Lan, Jinggang, Csányi, Gábor, Michaelides, Angelos, Kapil, Venkat
Calculating sublimation enthalpies of molecular crystal polymorphs is relevant to a wide range of technological applications. However, predicting these quantities at first-principles accuracy -- even with the aid of machine learning potentials -- is
Externí odkaz:
http://arxiv.org/abs/2405.20217
Autor:
Chen, Jihua, Yuan, Yue, Ziabari, Amir Koushyar, Xu, Xuan, Zhang, Honghai, Christakopoulos, Panagiotis, Bonnesen, Peter V., Ivanov, Ilia N., Ganesh, Panchapakesan, Wang, Chen, Jaimes, Karen Patino, Yang, Guang, Kumar, Rajeev, Sumpter, Bobby G., Advincula, Rigoberto
Artificial Intelligence (AI) approaches are increasingly being applied to more and more domains of Science, Engineering, Chemistry, and Industries to not only improve efficiencies and enhance productivity, but also enable new capabilities. The new op
Externí odkaz:
http://arxiv.org/abs/2405.01520
Autor:
Batatia, Ilyes, Benner, Philipp, Chiang, Yuan, Elena, Alin M., Kovács, Dávid P., Riebesell, Janosh, Advincula, Xavier R., Asta, Mark, Avaylon, Matthew, Baldwin, William J., Berger, Fabian, Bernstein, Noam, Bhowmik, Arghya, Blau, Samuel M., Cărare, Vlad, Darby, James P., De, Sandip, Della Pia, Flaviano, Deringer, Volker L., Elijošius, Rokas, El-Machachi, Zakariya, Falcioni, Fabio, Fako, Edvin, Ferrari, Andrea C., Genreith-Schriever, Annalena, George, Janine, Goodall, Rhys E. A., Grey, Clare P., Grigorev, Petr, Han, Shuang, Handley, Will, Heenen, Hendrik H., Hermansson, Kersti, Holm, Christian, Jaafar, Jad, Hofmann, Stephan, Jakob, Konstantin S., Jung, Hyunwook, Kapil, Venkat, Kaplan, Aaron D., Karimitari, Nima, Kermode, James R., Kroupa, Namu, Kullgren, Jolla, Kuner, Matthew C., Kuryla, Domantas, Liepuoniute, Guoda, Margraf, Johannes T., Magdău, Ioan-Bogdan, Michaelides, Angelos, Moore, J. Harry, Naik, Aakash A., Niblett, Samuel P., Norwood, Sam Walton, O'Neill, Niamh, Ortner, Christoph, Persson, Kristin A., Reuter, Karsten, Rosen, Andrew S., Schaaf, Lars L., Schran, Christoph, Shi, Benjamin X., Sivonxay, Eric, Stenczel, Tamás K., Svahn, Viktor, Sutton, Christopher, Swinburne, Thomas D., Tilly, Jules, van der Oord, Cas, Varga-Umbrich, Eszter, Vegge, Tejs, Vondrák, Martin, Wang, Yangshuai, Witt, William C., Zills, Fabian, Csányi, Gábor
Machine-learned force fields have transformed the atomistic modelling of materials by enabling simulations of ab initio quality on unprecedented time and length scales. However, they are currently limited by: (i) the significant computational and hum
Externí odkaz:
http://arxiv.org/abs/2401.00096
Ion complexes hold the key for various energy transfer and communication systems in nature and industries. Achieving controllable mechanical and electrical properties in these complex systems is highly desirable but remains challenging. In this work,
Externí odkaz:
http://arxiv.org/abs/2312.14170
Autor:
Ravindra, Pavan, Advincula, Xavier R., Schran, Christoph, Michaelides, Angelos, Kapil, Venkat
The Bernal-Fowler ice rules stipulate that each water molecule in an ice crystal should form four hydrogen bonds. However, in extreme or constrained conditions, the arrangement of water molecules deviates from conventional ice rules, resulting in pro
Externí odkaz:
http://arxiv.org/abs/2312.01340
En lima, existen más de 300 huacas que han sido declaradas como patrimonio cultural de la nación; sin embargo, solo una pequeña parte de estas se encuentran acondicionadas y puestas en valor. La gran mayoría se encuentran desconectadas de la ciud
Externí odkaz:
http://hdl.handle.net/20.500.12404/27334
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-9 (2024)
Abstract The Bernal-Fowler ice rules stipulate that each water molecule in an ice crystal should form four hydrogen bonds. However, in extreme or constrained conditions, the arrangement of water molecules deviates from conventional ice rules, resulti
Externí odkaz:
https://doaj.org/article/3f89893d4dd8421a95db463139983f24
Autor:
M. R. B. Advincula, J. T. Padrones
Publikováno v:
The International Archives of the Photogrammetry, Remote Sensing and Spatial Information Sciences, Vol XLVIII-4-W8-2023, Pp 1-7 (2024)
Hydrothermal alteration in the Mankayan Mineral District in Benguet, Philippines, has had a significant impact on the soil characteristics. Thus, soil characterisation in landslide zones offer useful insights on the nature of slope failure and provid
Externí odkaz:
https://doaj.org/article/5ec17a5bb4364b0d9f7d6b3614a3700a
Autor:
Jeongho Yang, Woongbeom Heogh, Hogi Ju, Sukhyun Kang, Tae-Sik Jang, Hyun-Do Jung, Mohammad Jahazi, Seung Chul Han, Seong Je Park, Hyoung Seop Kim, Susmita Bose, Amit Bandyopadhyay, Martin Byung-Guk Jun, Young Won Kim, Dae-kyeom Kim, Rigoberto C. Advincula, Clodualdo Aranas, Jr., Sang Hoon Kim
Publikováno v:
Journal of Magnesium and Alloys, Vol 12, Iss 3, Pp 1239-1256 (2024)
The ex-situ incorporation of the secondary SiC reinforcement, along with the in-situ incorporation of the tertiary and quaternary Mg3N2 and Si3N4 phases, in the primary matrix of Mg2Si is employed in order to provide ultimate wear resistance based on
Externí odkaz:
https://doaj.org/article/829b7ea797544d3a8af2e54c98e6adb3