Search Results - "Siriwardane, Edirisuriya M D"

Crystal Composition Transformer: Self-Learning Neural Language Model for Generative and Tinkering Design of Materials by Wei, Lai, Li, Qinyang, Song, Yuqi, Stefanov, Stanislav, Dong, Rongzhi, Fu, Nihang, Siriwardane, Edirisuriya M D, Chen, Fanglin, Hu, Jianjun

“…Self-supervised neural language models have recently achieved unprecedented success from natural language processing to learning the languages of biological…”
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Revealing the Formation Energy–Exfoliation Energy–Structure Correlation of MAB Phases Using Machine Learning and DFT by Siriwardane, Edirisuriya M. D, Joshi, Rajendra P, Kumar, Neeraj, Çakır, Deniz

“…MAB phases became popular as ultrahigh-temperature materials with high damage tolerance and excellent electrical conductivity. MAB is used to exfoliate…”
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Strain–Spintronics: Modulating Electronic and Magnetic Properties of Hf2MnC2O2 MXene by Uniaxial Strain by Siriwardane, Edirisuriya M. D, Karki, Pragalv, Loh, Yen Lee, Çakır, Deniz

“…Next-generation spintronic nanoscale devices require two-dimensional (2D) materials with robust ferromagnetism. Among 2D materials, MXenes are favorable for…”
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Active-Learning-Based Generative Design for the Discovery of Wide-Band-Gap Materials by Xin, Rui, Siriwardane, Edirisuriya M. D, Song, Yuqi, Zhao, Yong, Louis, Steph-Yves, Nasiri, Alireza, Hu, Jianjun

“…Active learning has been increasingly applied to screening functional materials from existing materials databases with desired properties. However, the number…”
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High‐Throughput Discovery of Novel Cubic Crystal Materials Using Deep Generative Neural Networks by Zhao, Yong, Al‐Fahdi, Mohammed, Hu, Ming, Siriwardane, Edirisuriya M. D., Song, Yuqi, Nasiri, Alireza, Hu, Jianjun

“…High‐throughput screening has become one of the major strategies for the discovery of novel functional materials. However, its effectiveness is severely…”
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MaterialsAtlas.org: a materials informatics web app platform for materials discovery and survey of state-of-the-art by Hu, Jianjun, Stefanov, Stanislav, Song, Yuqi, Omee, Sadman Sadeed, Louis, Steph-Yves, Siriwardane, Edirisuriya M. D., Zhao, Yong, Wei, Lai

“…The availability and easy access of large-scale experimental and computational materials data have enabled the emergence of accelerated development of…”
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Discovery of 2D Materials using Transformer Network‐Based Generative Design by Dong, Rongzhi, Song, Yuqi, Siriwardane, Edirisuriya M. D., Hu, Jianjun

“…Two‐dimensional (2D) materials offer great potential in various fields like superconductivity, quantum systems, and topological materials. However, designing…”
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Generative Design of Inorganic Compounds Using Deep Diffusion Language Models by Dong, Rongzhi, Fu, Nihang, Siriwardane, Edirisuriya M. D., Hu, Jianjun

“…Due to the vast chemical space, discovering materials with a specific function is challenging. Chemical formulas are obligated to conform to a set of exacting…”
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TCSP: a Template-Based Crystal Structure Prediction Algorithm for Materials Discovery by Wei, Lai, Fu, Nihang, Siriwardane, Edirisuriya M. D., Yang, Wenhui, Omee, Sadman Sadeed, Dong, Rongzhi, Xin, Rui, Hu, Jianjun

“…Fast and accurate crystal structure prediction (CSP) algorithms and web servers are highly desirable for the exploration and discovery of new materials out of…”
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Assessment of Sulfur-Functionalized MXenes for Li-Ion Battery Applications by Siriwardane, Edirisuriya M. D, Demiroglu, Ilker, Sevik, Cem, Peeters, François M, Çakır, Deniz

“…The surface termination of MXenes greatly determines the electrochemical properties and ion kinetics on their surfaces. So far, hydroxyl-, oxygen-, and…”
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Enhanced Electrochemical Storage Properties of Na- and Mg-Intercalated B‑Doped-Graphene Based Heterostructures and Bilayers by Siriwardane, Edirisuriya M. D, Çakır, Deniz

“…Modern technology requires novel materials to develop efficient storage systems, which offer high storage capacities and charging/discharging rates while…”
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Deep Learning-Based Prediction of Contact Maps and Crystal Structures of Inorganic Materials by Hu, Jianjun, Zhao, Yong, Li, Qin, Song, Yuqi, Dong, Rongzhi, Yang, Wenhui, Siriwardane, Edirisuriya M. D.

“…Crystal structure prediction is one of the major unsolved problems in materials science. Traditionally, this problem is formulated as a global optimization…”
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CrSi2 crystallites on Si(110) by Pathiranage, Sameera, Siriwardane, Edirisuriya M.D., Mohottige, Rasika, Çakır, Deniz, Oncel, Nuri

“…•Chromium silicide (CrSi2) crystallites were grown on Si(110) surface.•At low annealing temperatures, the surface had the grains of epitaxially grown CrSi2…”
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Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules by Siriwardane, Edirisuriya M. D, Demiroglu, Ilker, Sevik, Cem, Çakır, Deniz

“…Using first-principles calculations, we demonstrated that high lithium storage capacity and fast kinetics are achieved for Ti3C2O2 by preintercalating organic…”
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Electronic and mechanical properties of stiff rhenium carbide monolayers: A first-principles investigation by Siriwardane, Edirisuriya M.D., Karki, Pragalv, Sevik, Cem, Çakır, Deniz

“…•Using first-principle calculations, we predicted two stable ReC monolayers.•All stable monolayers display metallic properties.•ReC monolayers with MXene…”
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Strain–Spintronics: Modulating Electronic and Magnetic Properties of Hf 2 MnC 2 O 2 MXene by Uniaxial Strain by Siriwardane, Edirisuriya M. D., Karki, Pragalv, Loh, Yen Lee, Çakır, Deniz

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High-throughput discovery of novel cubic crystal materials using deep generative neural networks by Zhao, Yong, Al-Fahdi, Mohammed, Hu, Ming, Siriwardane, Edirisuriya MD, Song, Yuqi, Nasiri, Alireza, Hu, Jianjun

“…Advanced Science 2021 High-throughput screening has become one of the major strategies for the discovery of novel functional materials. However, its…”
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Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti 3 C 2 O 2 by Intercalation of Quinone Molecules by Siriwardane, Edirisuriya M. D., Demiroglu, Ilker, Sevik, Cem, Çakır, Deniz

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Discovery of 2D materials using Transformer Network based Generative Design by Dong, Rongzhi, Song, Yuqi, Siriwardane, Edirisuriya M. D, Hu, Jianjun

“…Two-dimensional (2D) materials have wide applications in superconductors, quantum, and topological materials. However, their rational design is not well…”
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CSPBench: a benchmark and critical evaluation of Crystal Structure Prediction by Wei, Lai, Omee, Sadman Sadeed, Dong, Rongzhi, Fu, Nihang, Song, Yuqi, Siriwardane, Edirisuriya M. D, Xu, Meiling, Wolverton, Chris, Hu, Jianjun

“…Crystal structure prediction (CSP) is now increasingly used in discovering novel materials with applications in diverse industries. However, despite decades of…”
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