Publications

Physics guided deep learning for generative design of crystal materials with symmetry constraints

Journal

Y. Zhao, E. M D. Siriwardane, Z. Wu, N. Fu, M. Al-Fahdi, M. Hu, J. Hu

npj Computational Materials, Volume 9, Issue 1, Pages 38

Publication year: 2023

Materials synthesizability and stability prediction using a semi-supervised teacher-student dual neural network

Journal

D. Gleaves, N. Fu, E. M D. Siriwardane, Y. Zhao, J. Hu

Digital Discovery, Volume 2, Issue 2, Pages 377-391

Publication year: 2023

Nanolaminated Fe2AB2 and Mn2AB2 (A = Al,Si,Ga,In) materials and the assessment of their electronic correlations

Journal

E. M. D. Siriwardane, T. Birol, O. Erten, D. Çakır

Physical Review Materials, Volume 6, Issue 12, Pages 124005

Publication year: 2022

Generative design of stable semiconductor materials using deep learning and density functional theory

Journal

E. M. D. Siriwardane, Y. Zhao, I. Perera, J. Hu

npj Computational Materials, Volume 8, Issue 1, Pages 164

Publication year: 2022

Accurate prediction of voltage of battery electrode materials using attention-based graph neural networks

Journal

S.Y. Louis, E. M. D. Siriwardane, R. P. Joshi, S. S. Omee, N. Kumar, J. Hu

ACS Applied Materials & Interfaces, Volume 14, Issue 23, Pages 26587-26594

Publication year: 2022

High-Throughput Discovery of Novel Cubic Crystal Materials Using Deep Generative Neural Networks

Journal

Y. Zhao, M. Al-Fahdi, M. Hu, E. M. D. Siriwardane, Y. Song, A. Nasiri, J. Hu

Advanced Science, Volume 8

Publication year: 2021

First-Principles Investigation of Ti2CSO and Ti2CSSe Janus MXene Structures for Li and Mg Electrodes

Journal

E. M. D. Siriwardane, J. Hu

The Journal of Physical Chemistry C, Volume 125

Publication year: 2021

Crystal Structure Prediction Using an Age-Fitness Multiobjective Genetic Algorithm and Coordination Number Constraints

Journal

W. Yang, E. M. D. Siriwardane, J. Hu

The Journal of Physical Chemistry A, Volume 126

Publication year: 2021

Crystal structure prediction of materials with high symmetry using differential evolution

Journal

W. Yang, E. M. D. Siriwardane, R. Dong, Y. Li, J. Hu

Journal of Physics: Condensed Matter, Volume 33

Publication year: 2021

CrSi2 crystallites on Si(110)

Journal

S. Pathiranage, E. M. D. Siriwardane, R. Mohottige, D. Cakır, N. Oncel

Surface Science, Volume 703

Publication year: 2021

Contact map based crystal structure prediction using global optimization

Journal

J. Hu, W. Yang, R. Dong, Y. Li, Xiang Li, S. Li, E. M. D. Siriwardane

CrystEngComm, Volume 23

Publication year: 2021

Computational discovery of new 2D materials using deep learning generative models

Journal

Y. Song, E. M. D. Siriwardane, Y. Zhao, J. Hu

ACS Applied Materials and Interfaces, Volume 13

Publication year: 2021

Active-Learning-Based Generative Design for the Discovery of Wide-Band-Gap Materials

Journal

R. Xin, E. M. D. Siriwardane, Y. Song, Y. Zhao, S. Louis, A. Nasiri, J. Hu

The Journal of Physical Chemistry C, Volume 125

Publication year: 2021

Engineering Magnetic Anisotropy and Exchange Couplings in Double Transition Metal MXenes via Surface Defects

Journal

E. M. D. Siriwardane, P. Karki, Y. L. Loh, D. Cakır

Journal of Physics Condensed Matter, Volume 33

Publication year: 2020

Distance Matrix-Based Crystal Structure Prediction Using Evolutionary Algorithms

Journal

J. Hu, W. Yang, E. M. D. Siriwardane

The Journal of Physical Chemistry A, Volume 124

Publication year: 2020

Assessment of Sulfur-Functionalized MXenes for Li-ion Battery Applications

Journal

E. M. D. Siriwardane, I. Demiroglu, Cem Sevik, F. M. Peeters and D. Cakır

The Journal of Physical Chemistry C, Volume 124

Publication year: 2020

Strain Spintronics: Modulating Electronic and Magnetic Properties of Hf2MnC2O2 MXene by Uniaxial Strain

Journal

E. M. D. Siriwardane, P. Karki, Y. L. Loh, D. Cakır

The Journal of Physical Chemistry C, Volume 123

Publication year: 2019

Strain engineering of electronic and magnetic properties of double-transition metal ferromagnetic semiconductor MXenes

Journal

E. M.D. Siriwardane, D. Cakır

Journal of Applied Physics, Volume 125

Publication year: 2019

Revealing the Formation Energy - Exfoliation Energy - Structure Correlation of MAB Phases using Machine Learning and DFT

Journal

E. M. D. Siriwardane, R. P. Joshi, N. Kumar, D. Cakır

ACS Applied Materials and Interfaces, Volume 12

Publication year: 2019

Enhanced Electrochemical Storage Properties of Na- and Mg- Intercalated B-Doped-Graphene Based Heterostructures and Bilayers

Journal

E. M.D. Siriwardane, D. Cakır

The Journal of Physical Chemistry C, Volume 124

Publication year: 2019

Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules

Journal

E. M. D. Siriwardane, I. Demiroglu, C. Sevik, D. Cakır

ACS Applied Energy Materials, Volume 2

Publication year: 2019

Electronic and mechanical properties of stiff rhenium carbide monolayers: A first-principles investigation

Journal

E. M.D. Siriwardane, P. Karki, C. Sevik, D. Cakır

Applied Surface Science, Volume 458

Publication year: 2018

Dr. Dilanga Siriwardane

Department of Physics

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Physics guided deep learning for generative design of crystal materials with symmetry constraints

Materials synthesizability and stability prediction using a semi-supervised teacher-student dual neural network

Nanolaminated Fe2AB2 and Mn2AB2 (A = Al,Si,Ga,In) materials and the assessment of their electronic correlations

Generative design of stable semiconductor materials using deep learning and density functional theory

Accurate prediction of voltage of battery electrode materials using attention-based graph neural networks

High-Throughput Discovery of Novel Cubic Crystal Materials Using Deep Generative Neural Networks

First-Principles Investigation of Ti2CSO and Ti2CSSe Janus MXene Structures for Li and Mg Electrodes

Crystal Structure Prediction Using an Age-Fitness Multiobjective Genetic Algorithm and Coordination Number Constraints

Crystal structure prediction of materials with high symmetry using differential evolution

CrSi2 crystallites on Si(110)

Contact map based crystal structure prediction using global optimization

Computational discovery of new 2D materials using deep learning generative models

Active-Learning-Based Generative Design for the Discovery of Wide-Band-Gap Materials

Engineering Magnetic Anisotropy and Exchange Couplings in Double Transition Metal MXenes via Surface Defects

Distance Matrix-Based Crystal Structure Prediction Using Evolutionary Algorithms

Assessment of Sulfur-Functionalized MXenes for Li-ion Battery Applications

Strain Spintronics: Modulating Electronic and Magnetic Properties of Hf2MnC2O2 MXene by Uniaxial Strain

Strain engineering of electronic and magnetic properties of double-transition metal ferromagnetic semiconductor MXenes

Revealing the Formation Energy - Exfoliation Energy - Structure Correlation of MAB Phases using Machine Learning and DFT

Enhanced Electrochemical Storage Properties of Na- and Mg- Intercalated B-Doped-Graphene Based Heterostructures and Bilayers

Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules

Electronic and mechanical properties of stiff rhenium carbide monolayers: A first-principles investigation