Soliquidy: a descriptor for atomic geometrical confusion

Authors: Eckert, Hagen, Kube, Sebastian A., Divilov, Simon, Guest, Asa, Zettel, Adam C., Hicks, David, Griesemer, Sean D., Hotz, Nico, Campilongo, Xiomara, Zhu, Siya, van de Walle, Axel, Schroers, Jan, Curtarolo, Stefano

Source: npj Comput Mater 11, 40 (2025)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2501.18001

Accelerating CALPHAD-based Phase Diagram Predictions in Complex Alloys Using Universal Machine Learning Potentials: Opportunities and Challenges

Authors: Zhu, Siya, Arróyave, Raymundo, Sarıtürk, Doğuhan

Subject Terms: Condensed Matter - Materials Science, Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2411.15351

Special Glass Structures for First Principles Studies of Bulk Metallic Glasses

Authors: Zhu, Siya, Schroers, Jan, Curtarolo, Stefano, Eckert, Hagen, van de Walle, Axel

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2302.11644

Accelerating CALPHAD-based phase diagram predictions in complex alloys using universal machine learning potentials: Opportunities and challenges

Authors: Zhu, Siya ^{a, ⁎}, Sarıtürk, Doğuhan ^a, Arróyave, Raymundo ^{a, b, c}

Source: In Acta Materialia 1 March 2025 286

Bayesian active machine learning for Cluster expansion construction

Authors: Chen, Hantong, Samanta, Sayan, Zhu, Siya, Eckert, Hagen, Schroers, Jan, Curtarolo, Stefano, van de Walle, Axel

Source: In Computational Materials Science 5 January 2024 231

Probing phase stability in CrMoNbV using cluster expansion method, CALPHAD calculations and experiments

Authors: Zhu, Siya, Shittu, Jibril, Perron, Aurelien, Nataraj, Chiraag, Berry, Joel, McKeown, Joseph T., de Walle, Axel van, Samanta, Amit

Source: In Acta Materialia 15 August 2023 255

Interactive Exploration of High-Dimensional Phase Diagrams.

Authors: van de Walle, Axel¹, avdw@alum.mit.edu, Chen, Hantong¹, Liu, Helena¹, Nataraj, Chiraag¹, Samanta, Sayan¹, Zhu, Siya¹, Arroyave, Raymundo²

Source: JOM: The Journal of The Minerals, Metals & Materials Society (TMS); Sep2022, Vol. 74 Issue 9, p3478-3486, 9p

Synergetic Effect of EP1 Receptor Antagonist and (-)-Epigallocatechin-3-gallate in Hepatocellular Carcinoma

Authors: Yang, Hui, Wang, Menglin, Sun, Haolu, Zhu, Siya, Jin, Juan

Source: Pharmacology. 104(5/6):267-275

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100093810766.0x000001&indx=1&recIds=ETOCvdc_100093810766.0x000001

Accurate parameterization of the kinetic energy functional for calculations using exact-exchange

Authors: Kumar, Shashikant, Sadigh, Babak, Zhu, Siya, Suryanarayana, Phanish, Hamel, Sebastian, Gallagher, Brian, Bulatov, Vasily, Klepeis, John, Samanta, Amit

Source: Journal of chemical physics. 156(2)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100138887818.0x000001&indx=1&recIds=ETOCvdc_100138887818.0x000001

Computational Assessment of Novel Predicted Compounds in Ni-Re Alloy System.

Authors: Zhu, Siya¹ (AUTHOR) siya_zhu@brown.edu, van de Walle, Axel¹ (AUTHOR)

Source: Journal of Phase Equilibria & Diffusion. Apr2021, Vol. 42 Issue 2, p315-320. 6p.

Subject Terms: *ALLOYS, *HIGH temperatures, *INTERMETALLIC compounds, *PHASE diagrams

Efficacy of high-frequency repetitive transcranial magnetic stimulation in a family with spinocerebellar ataxia type 3: A case report

Authors: Hu, Zhengxiang ^{a, ∗, 1}, Tao, Xinyi ^{b, 1}, Huang, Ziyang ^a, Xie, Kunrong ^a, Zhu, Siya ^b, Weng, Xulin ^a, Lin, Dezheng ^b, Zhang, Yuxin ^b, Wang, Lingzhi ^b

Source: In Heliyon May 2023 9(5)

Synergetic Effect of EP1 Receptor Antagonist and (-)-Epigallocatechin-3-gallate in Hepatocellular Carcinoma.

Authors: Yang, Hui, Wang, Menglin, Sun, Haolu, Zhu, Siya, Jin, Juan

Source: Pharmacology; 2019, Vol. 104 Issue 5/6, p267-275, 9p, 1 Chart, 5 Graphs

Subject Terms: HEPATOCELLULAR carcinoma, EPIGALLOCATECHIN gallate, CATECHIN, CELL migration, GREEN tea, CELL survival

This result is not displayed to guests.
Login for full access.

This result is not displayed to guests.
Login for full access.

This result is not displayed to guests.
Login for full access.

This result is not displayed to guests.
Login for full access.

Revisiting the SGTE lattice stability of bcc aluminum.

Authors: van de Walle, Axel¹ (AUTHOR) avdw@alum.mit.edu, Samanta, Sayan¹ (AUTHOR), Nataraj, Chiraag¹ (AUTHOR), Zhu, Siya¹ (AUTHOR), Chen, Hantong¹ (AUTHOR), Liu, Helena¹ (AUTHOR), Arroyave, Raymundo² (AUTHOR)

Source: CALPHAD. Dec2023, Vol. 83, pN.PAG-N.PAG. 1p.

Subject Terms: *ALUMINUM, *SOLID solutions, *RESEARCH personnel, *ENTHALPY, *EXTRAPOLATION