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1

Machine learning in materials informatics: recent applications and prospects

Ramprasad, Rampi, Batra, Rohit, Pilania, Ghanshyam, Mannodi-Kanakkithodi, Arun, Kim, Chiho

Journal:

npj Computational Materials

Année:

2017

Langue:

english

Fichier:

PDF, 1.46 MB

english, 2017

2

KBaTeBiO 6 : a lead-free, inorganic double-perovskite semiconductor for photovoltaic applications

Thind, Arashdeep Singh, Kavadiya, Shalinee, Kouhnavard, Mojgan, Wheelus, Robin, Cho, Sung Beom, Lin, Liang-Yi, Kacica, Clayton, Mulmudi, Hemant Kumar, Unocic, Kinga A, Borisevich, Albina Y., Pilania,

Journal:

Chemistry of Materials

Année:

2019

Langue:

english

Fichier:

PDF, 884 KB

english, 2019

3

Multi-fidelity machine learning models for accurate bandgap predictions of solids

Pilania, G., Gubernatis, J.E., Lookman, T.

Journal:

Computational Materials Science

Année:

2017

Langue:

english

Fichier:

PDF, 1.58 MB

english, 2017

4

Accelerating materials property predictions using machine learning

Pilania, Ghanshyam, Wang, Chenchen, Jiang, Xun, Rajasekaran, Sanguthevar, Ramprasad, Ramamurthy

Journal:

Scientific Reports

Année:

2013

Langue:

english

Fichier:

PDF, 1.14 MB

english, 2013

5

Scoping the polymer genome: A roadmap for rational polymer dielectrics design and beyond

Mannodi-Kanakkithodi, Arun, Chandrasekaran, Anand, Kim, Chiho, Huan, Tran Doan, Pilania, Ghanshyam, Botu, Venkatesh, Ramprasad, Rampi

Journal:

Materials Today

Année:

2017

Langue:

english

Fichier:

PDF, 2.38 MB

english, 2017

6

A Deep Neural Network for Accurate and Robust Prediction of the Glass Transition Temperature of Polyhydroxyalkanoate Homo- and Copolymers

Jiang, Zhuoying, Hu, Jiajie, Marrone, Babetta L., Pilania, Ghanshyam, Yu, Xiong (Bill)

Journal:

Année:

2020

Fichier:

PDF, 3.87 MB

2020

7

A QSAR study on 2-(4-methylpiperazin-1-yl)quinoxalines as human histamine H 4 receptor ligands

Sharma, Brij K., Pilania, Pradeep, Singh, Prithvi, Prabhakar, Yenamandra S.

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 868 KB

english, 2011

8

Computational strategies for polymer dielectrics design

Wang, C.C., Pilania, G., Boggs, S.A., Kumar, S., Breneman, C., Ramprasad, R.

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 2.64 MB

english, 2014

9

Elderly depression in India: An emerging public health challenge

Journal:

Australasian Medical Journal

Année:

2013

Langue:

english

Fichier:

PDF, 147 KB

english, 2013

10

From Organized High-Throughput Data to Phenomenological Theory using Machine Learning: The Example of Dielectric Breakdown

Kim, Chiho, Pilania, Ghanshyam, Ramprasad, Ramamurthy

Journal:

Chemistry of Materials

Année:

2016

Langue:

english

Fichier:

PDF, 2.78 MB

english, 2016

11

Posterior Reversible Encephalopathy Syndrome - A Rare Complication of Bee-Stings

Parakh, Manish, Pilania, Khushboo, Jangid, Hemant, Chaturvedy, Kirti, Shroff, Manohar, Rajasthan, Jodhpur

Journal:

Canadian Journal of Neurological Sciences / Journal Canadien des Sciences Neurologiques

Année:

2013

Langue:

english

Fichier:

PDF, 70 KB

english, 2013

12

First-principles identification of novel double perovskites for water-splitting applications

Pilania, G., Mannodi-Kanakkithodi, A.

Journal:

Journal of Materials Science

Année:

2017

Langue:

english

Fichier:

PDF, 2.45 MB

english, 2017

13

Physics-informed machine learning for inorganic scintillator discovery

Pilania, G., McClellan, K. J., Stanek, C. R., Uberuaga, B. P.

Journal:

The Journal of Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 3.94 MB

english, 2018

14

Inverse Gottron papules in juvenile dermatomyositis: an under recognized clinical entity

Jindal, Ankur Kumar, Guleria, Sandesh, Pilania, Rakesh Kumar, Bishnoi, Anuradha, Vinay, Keshavamurthy, Dogra, Sunil, Suri, Deepti, Rawat, Amit, Singh, Surjit

Journal:

Rheumatology International

Année:

2018

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2018

15

Palmoplantar psoriasis in a child with Kawasaki disease

Pilania, Rakesh Kumar, Palla, Swetha, Vignesh, Pandiarajan, Nada, Ritamabara, Singh, Surjit

Journal:

Année:

2020

Langue:

english

Fichier:

PDF, 204 KB

english, 2020

16

Reconstruction of Orbital Floor Fractures with Titanium Micromesh: Our Experience

Chattopadhyay, Chandrashekhar, Dev, Vikas, Pilania, Dinesh, Harsh, Aditya

Journal:

Journal of Maxillofacial and Oral Surgery

Année:

2020

Fichier:

PDF, 1.01 MB

2020

17

Patients with a major depressive episode responding to treatment with repetitive transcranial magnetic stimulation (rTMS) are resistant to the effects of rapid tryptophan depletion

John P. O'Reardon, Pilar Cristancho, Pramod Pilania, Kiran B. Bapatla, Shaokun Chuai, Andrew D. Peshek

Journal:

Depression and Anxiety

Année:

2007

Langue:

english

Fichier:

PDF, 136 KB

english, 2007

18

A rationale for the activity profile of benzenesulfonamide derivatives as cyclooxygenase (COX) inhibitors

Brij Kishore Sharma, Prithvi Singh, Manju Shekhawat, Pradeep Pilania

Journal:

European Journal of Medicinal Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 390 KB

english, 2010

19

Adsorption of atomic oxygen on cubic PbTiO3 and LaMnO3 (001) surfaces: A density functional theory study

G. Pilania, R. Ramprasad

Journal:

Surface Science

Année:

2010

Langue:

english

Fichier:

PDF, 617 KB

english, 2010

20

Ab initio study of antiferroelectric PbZrO3(001) surfaces

G. Pilania, D. Q. Tan, Y. Cao, V. S. Venkataramani, Q. Chen, R. Ramprasad

Journal:

Journal of Materials Science

Année:

2009

Langue:

english

Fichier:

PDF, 453 KB

english, 2009

21

CP-MLR/PLS directed QSAR study on apical sodium-codependent bile acid transporter inhibition activity of benzothiepines

Brij Kishore Sharma, Prithvi Singh, Pradeep Pilania, Kirti Sarbhai, Yenamandra S. Prabhakar

Journal:

Molecular Diversity

Année:

2011

Langue:

english

Fichier:

PDF, 451 KB

english, 2011

22

Chemometric descriptors in modeling the carbonic anhydrase inhibition activity of sulfonamide and sulfamate derivatives

Brij Kishore Sharma, Pradeep Pilania, Kirti Sarbhai, Prithvi Singh, Yenamandra S. Prabhakar

Journal:

Molecular Diversity

Année:

2010

Langue:

english

Fichier:

PDF, 387 KB

english, 2010

23

CP-MLR directed QSAR study of carbonic anhydrase inhibitors: sulfonamide and sulfamate inhibitors

Brij Kishore Sharma, Pradeep Pilania, Prithvi Singh, Susheela Sharma, Yenamandra S. Prabhakar

Journal:

Central European Journal of Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 243 KB

english, 2009

24

How Critical Are the van der Waals Interactions in Polymer Crystals?

Liu, Chun-Sheng, Pilania, Ghanshyam, Wang, Chenchen, Ramprasad, Ramamurthy

Journal:

Journal of Physical Chemistry A

Année:

2012

Langue:

english

Fichier:

PDF, 1.45 MB

english, 2012

25

Dielectric permittivity of ultrathin PbTiO3nanowires from first principles

Pilania, G., Ramprasad, R.

Journal:

Journal of Materials Science

Année:

2012

Langue:

english

Fichier:

PDF, 571 KB

english, 2012

26

from first principles

Sharma, V., Pilania, G., Rossetti, G. A., Slenes, K., Ramprasad, R.

Journal:

Physical Review B

Année:

2013

Langue:

english

Fichier:

PDF, 2.69 MB

english, 2013

27

Dielectric properties of carbon-, silicon-, and germanium-based polymers: A first-principles study

Wang, C. C., Pilania, G., Ramprasad, R.

Journal:

Physical Review B

Année:

2013

Langue:

english

Fichier:

PDF, 1.62 MB

english, 2013

28

[IEEE 2009 International Asia Conference on Informatics in Control, Automation and Robotics (CAR) - Bangkok, Thailand (2009.02.1-2009.02.2)] 2009 International Asia Conference on Informatics in Control, Automation and Robotics - A Novel Approach to Swarm Bot Architecture

Pilania, Vinay Kumar, Mishra, Shaunak, Panda, Subrat, Mishra, Aurosish

Année:

2009

Langue:

english

Fichier:

PDF, 424 KB

english, 2009

29

First principles investigations of structural, electronic, elastic, and dielectric properties of KMgF3

Pilania, G., Sharma, Vinit

Journal:

Journal of Materials Science

Année:

2013

Langue:

english

Fichier:

PDF, 424 KB

english, 2013

30

Electronic, magnetic, optical and elastic properties of Fe2YAl (Y=Ti, V and Cr) using first principles methods

Sharma, V., Pilania, G.

Journal:

Journal of Magnetism and Magnetic Materials

Année:

2013

Langue:

english

Fichier:

PDF, 1.22 MB

english, 2013

31

nanowires

Pilania, G., Alpay, S. P., Ramprasad, R.

Journal:

Physical Review B

Année:

2009

Langue:

english

Fichier:

PDF, 607 KB

english, 2009

32

C–H arylation of azaheterocycles: a direct ligand-free and Cu-catalyzed approach using diaryliodonium salts

Kumar, Dalip, Pilania, Meenakshi, Arun, V., Pooniya, Savita

Journal:

Organic & Biomolecular Chemistry

Année:

2014

Langue:

english

Fichier:

PDF, 340 KB

english, 2014

33

Enhanced Polymeric Dielectrics through Incorporation of Hydroxyl Groups

Misra, Mayank, Agarwal, Manish, Sinkovits, Daniel W., Kumar, Sanat K., Wang, Chenchen, Pilania, Ghanshyam, Ramprasad, Ramamurthy, Weiss, Robert A., Yuan, Xuepei, Chung, T. C. Mike

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 4.47 MB

english, 2014

34

Oxygen Adsorption on CdSe Surfaces: Case Study of Asymmetric Anisotropic Growth through ab Initio Computations

Pilania, G., Sadowski, T., Ramprasad, R.

Journal:

The Journal of Physical Chemistry C

Année:

2009

Langue:

english

Fichier:

PDF, 2.00 MB

english, 2009

35

Correction to “How Critical Are the van der Waals Interactions in Polymer Crystals?”

Liu, Chun-Sheng, Pilania, Ghanshyam, Wang, Chenchen, Ramprasad, Ramamurthy

Journal:

Journal of Physical Chemistry A

Année:

2014

Langue:

english

Fichier:

PDF, 114 KB

english, 2014

36

Termination chemistry-driven dislocation structure at SrTiO3/MgO heterointerfaces

Dholabhai, Pratik P., Pilania, Ghanshyam, Aguiar, Jeffery A., Misra, Amit, Uberuaga, Blas P.

Journal:

Nature Communications

Année:

2014

Langue:

english

Fichier:

PDF, 1.96 MB

english, 2014

37

Rational design of all organic polymer dielectrics

Sharma, Vinit, Wang, Chenchen, Lorenzini, Robert G., Ma, Rui, Zhu, Qiang, Sinkovits, Daniel W., Pilania, Ghanshyam, Oganov, Artem R., Kumar, Sanat, Sotzing, Gregory A., Boggs, Steven A., Ramprasad, Ra

Journal:

Nature Communications

Année:

2014

Langue:

english

Fichier:

PDF, 1.28 MB

english, 2014

38

superlattices

Pilania, Ghanshyam, Lookman, Turab

Journal:

Physical Review B

Année:

2014

Langue:

english

Fichier:

PDF, 2.57 MB

english, 2014

39

Ferromagnetism in IV main group element (C) and transition metal (Mn) doped MgO: A density functional perspective

Sharma, Vinit, Pilania, Ghanshyam, Lowther, J. E.

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 748 KB

english, 2011

40

First principles study of the interface between silicone and undoped/doped BaTiO3

Pilania, G., Slenes, K., Ramprasad, R.

Journal:

Journal of Applied Physics

Année:

2013

Langue:

english

Fichier:

PDF, 1.35 MB

english, 2013

41

nanowires: A first-principles computational study

Pilania, G., Ramprasad, R.

Journal:

Physical Review B

Année:

2010

Langue:

english

Fichier:

PDF, 727 KB

english, 2010

42

Establishing the LaMnO 3 Surface Phase Diagram in an Oxygen Environment: An ab Initio Kinetic Monte Carlo Simulation Study

Pilania, G., Gao, P.-X., Ramprasad, R.

Journal:

The Journal of Physical Chemistry C

Année:

2012

Langue:

english

Fichier:

PDF, 1.01 MB

english, 2012

43

Oxygen-Assisted Unidirectional Growth of CdSe Nanorods Using a Low-Temperature Redox Process

Doll, Jonathan D., Pilania, Ghanshyam, Ramprasad, Ramamurthy, Papadimitrakopoulos, Fotios

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 3.83 MB

english, 2010

44

Correction to “Establishing the LaMnO 3 Surface Phase Diagram in an Oxygen Environment: An ab Initio Kinetic Monte Carlo Simulation Study”

Pilania, G., Gao, P.-X., Ramprasad, R.

Journal:

The Journal of Physical Chemistry C

Année:

2013

Langue:

english

Fichier:

PDF, 2.03 MB

english, 2013

45

New Group IV Chemical Motifs for Improved Dielectric Permittivity of Polyethylene

Pilania, G., Wang, C. C., Wu, K., Sukumar, N., Breneman, C., Sotzing, G., Ramprasad, R.

Journal:

Journal of Chemical Information and Modeling

Année:

2013

Langue:

english

Fichier:

PDF, 1.78 MB

english, 2013

46

[IEEE 2014 19th Asia and South Pacific Design Automation Conference (ASP-DAC) - Singapore (2014.01.20-2014.01.23)] 2014 19th Asia and South Pacific Design Automation Conference (ASP-DAC) - Array scalarization in high level synthesis

Panda, Preeti Ranjan, Sharma, Namita, Pilania, Arun Kumar, Krishnaiah, Gummidipudi, Subramoney, Sreenivas, Jagannathan, Ashok

Année:

2014

Langue:

english

Fichier:

PDF, 181 KB

english, 2014

47

[IEEE 20th Annual Computer Security Applications Conference - Tucson, AZ, USA (06-10 Dec. 2004)] 20th Annual Computer Security Applications Conference - Design, Implementation, and Evaluation of A Repairable Database Management System

Tzi-cker Chiueh,, Pilania, D.

Année:

2004

Langue:

english

Fichier:

PDF, 141 KB

english, 2004

48

The effect of aromatic and sulfur compounds on partial discharge characteristics of hexadecane

Bolliger, D., Pilania, G., Boggs, S.

Journal:

IEEE Transactions on Dielectrics and Electrical Insulation

Année:

2013

Langue:

english

Fichier:

PDF, 1.27 MB

english, 2013

49

The effect of oxidative and paper degradation impurities on partial discharge characteristics of hexadecane

Bolliger, Dominique, Pilania, Ghanshyam, Boggs, Steven

Journal:

IEEE Transactions on Dielectrics and Electrical Insulation

Année:

2013

Langue:

english

Fichier:

PDF, 1.07 MB

english, 2013

50

Combinatorial protocol in multiple linear regression/partial least-squares directed rationale for the caspase-3 inhibition activity of isoquinoline-1,3,4-trione derivatives

Sharma, B.K., Pilania, P., Singh, P., Prabhakar, Y.S.

Journal:

SAR and QSAR in Environmental Research

Année:

2010

Langue:

english

Fichier:

PDF, 362 KB

english, 2010