Digitalisation Research Publications

2022

Towards Predicting the Onset of Elastic Turbulence in Complex Geometries.

Eseosa M. Ekanem, Stefen Berg, Shauvik De, Ali Fadili, Paul Luckham, Transport in Porous Media, May 2022.

Siamese-SR: A Siamese Super-Resolution model for boosting resolution of Digital Rock images for improved petrophysical property estimation.

Vishal R. Ahuja, Utkarsh Gupta, Shivani R. Rapole, Nishank Saxena, Ronny Hofmann, Ruarri J. Day-Stirrat, Jaya Prakash, Phaneendra K. Yalavarthy, IEEE Transactions on Image Processing, May 2022.

Groundwater Spatiotemporal Data Analysis Tool: Case Studies, New Features and Future Developments.

Wayne R. Jones, Luc Rock, Alexandra Wesch, Emanuel Marzusch, Marnie Low. Groundwater Monitoring and Remediation, April 2022.

Role of Computational Science in Materials and Systems Design for Sustainable Energy Applications: An Industry Perspective.

Shantanu Maheshwari, Sharankumar Shetty, Ram Ratnakar and Suchismita Sanyal; Journal of Indian Institute of Science, 2022.

Role of magnetization on catalytic pathways of non-oxidative methane activation on neutral iron carbide clusters.

Manish Kumar, Manzoor Ahmad Dar, Ankita Katiyar, Ravi Agrawal, Prathamesh M. Shenai and Varadharajan Srinivasan, Phys. Chem. Chem. Phys., 2022, Advance Article.

Critical Deposit Loading Thresholds for Under Deposit Corrosion in Steam Generators.

Abitha Ramesh, Nicholas Laycock, Prathamesh Shenai, Andrew Barnes, Helmar Van Santen, Aarthi Thyagarajan, Aboubakr M. Abdullah, Mary Ryan, CORROSION (2022).

A Comparative Study of the Impact of the CO2 Properties on the Thermal Output of a Geothermal Well.

Ratnakar, R., Dindoruk, B., Livescu, S. and Gautam, S., 2022, April. In SPE Improved Oil Recovery Conference. SPE-209362-MS.

Phase behavior and ph modelling for ammonia-mea-water mixtures for corrosion control in water utility applications.

Ratnakar, R., Gupta, S.S., Stockinger, G., Hamer, W. and Dindoruk, B., 2022. Fluid Phase Equilibria, 554, p.113305.

Activation of CO2 and CH4 on MgO surfaces: mechanistic insights from first-principles theory.

Meghna A. Manae, Lakshay Dheer, Sandhya Rai, Sharan Shetty, Umesh V. Waghmare. Phys. Chem. Chem. Phys.,2022. 24, p1415

Multivariate spatial conditional extremes for extreme ocean environments.

Rob Shooter, Emma Ross, Agustinus Ribal, Ian R. Young, Philip Jonathan. Ocean Eng. 247:110647, March, 2022.

On wave impact pressure variability.

Alison Raby, Geoff Bullock, Philip Jonathan, David Randell, Colin Whittaker, Coastal Engineering, June 2022, 104168, ISSN 0378-3839.

Enhanced monitoring of atmospheric methane from space over the Permian basin with hierarchical Bayesian inference.

Clayton Roberts, Oliver Shorttle, Kaisey Mandel, Matthew Jones , Rutger Ijzermans, Bill Hirst and Philip Jonathan, Environmental Research Letters, Volume 17, Number 6, June 2022.

Locating and quantifying methane emissions by inverse analysis of path-integrated concentration data using a Markov-chain Monte Carlo approach.

Weidmann, Damien; Hirst, Bill; Jones, Matthew; Ijzermans, Rutger; Randell, David; Macleod, Neil; Kannath, Arun; Chu, Johnny; Dean, Marcella. ACS Earth and Space Chemistry, June 2022.

The Role of Diffusivity in Oil and Gas Industries: Fundamentals, Measurement, and Correlative Techniques.

Ratnakar, R. , Dindoruk B. Processes. 2022 Jun 15;10(6):1194.

Multi-mode reduced order models for real time simulations of monolith reactors with micro-kinetics

Tu M, Ratnakar R, Balakotaiah V., Chemical Engineering Journal. 2022 Feb 15;430:132532.

Modular reactors with electrical resistance heating for hydrocarbon cracking and other endothermic reactions.

Balakotaiah V, Ratnakar R, AIChE Journal. 2022 Feb;68(2):e17542.

Statistical estimation of spatial wave extremes for tropical cyclones from small data samples: validation of the STM-E approach using long-term synthetic cyclone data for the Caribbean Sea.

R, Wada, J. Rohmer, Y. Krien and P. Jonathan. Nat. Hazards Earth Sys., 22, 431-444 , June 2022.

Federated Learning with Taskonomy for Non-IID Data and Supplementary content.
Hadi Jamali-Rad, Mohammad Abdizadeh, Anuj Singh, accepted to appear in IEEE Transactions on Neural Networks and Learning Systems (TNNLS), 2022.

2021

Towards predicting the onset of elastic turbulence in complex geometries

Eseosa Ekanem, Steffen Berg, Shauvik De, Ali Fadili, Paul Luckham – submitted to PNAS (Proceedings of the National Academy of Sciences) – 2021.

The Virtual Corrosion Engineer.

Aarthi Thyagarajan, Wouter Hamer, Joy Phophichitra, Valliappan Valliappan, Abitha Ramesh, Prathamesh Shenai, Nicholas Laycock, Corros. Mater. Degrad, 2(4), 762-769, December 2021.

Phase behavior and pH modelling for ammonia-MEA-water mixtures for corrosion control in water utility applications.

Ram Ratnakar, Somil Gupta, Georg Stockinger, Wouter Hamer, Birol Dindoruk, Fluid Phase Equilibria, November 2021.

Lookahead adversarial learning for near real-time semantic segmentation.

Jamali-Rad H., Szabó A., Computer Vision and Image Understanding Volume 212, 103271, November 2021.

Modeling and experimental study on CO2 adsorption in fixed-bed columns: Applications to carbon capture and utilization.

Ratnakar R., Shankar S., Agrawal R., Dindoruk B., Journal of Natural Gas Science and Engineering Volume 94, October 2021.

Electronic Promotion Effects of Metal Oxides: A Case Study of MnO Impact on Fischer–Tropsch Catalysis.

S. S Gupta, P. M. Shenai, J. Meeuwissen, G. L. Bezemer and S. Shetty; J. Phys. Chem. C, 125, 39, 21390–21401, September 2021.

Unraveling the activity of iron carbide clusters embedded in silica for thermocatalytic conversion of methane.

Gopal K Dixit, Manish Kumar, Ankita Katiyar, Antonius PJ Jansen, Alexander P van Bavel, Ravi Agrawal, Prathamesh M Shenai, Varadharajan Srinivasan; Catal. Sci. Technol., ,11, 7398-7411; September 2021.

Development of a Reactive Force Field for CaCl2·nH2O, and the Application to Thermochemical Energy Storage.

Heijmansa K., Nab S., Pathak A.D., Nedea S. and Smeulders D., Computational Materials Science Volume 197, 110595, September 2021.

Phase Equilibria Acid-Gas Aqueous Systems (CO2, H2S, CH4, Water) and In-Situ pH Measurements in Applications to Top-of-Line Corrosion.

Birol Dindoruk, Ram R. Ratnakar, Sanyal Suchismita. SPE J. SPE-201341-PA, August 2021.

Transient measurement and modeling of integrated capillary viscometer for live oils at high temperatures with volumetric constraints.

Ram R. Ratnakar, Birol Dindoruk. Journal of Petroleum Science and Engineering, 201: 108462, June 2021.

Controlling and Optimizing Photoinduced Charge Transfer across Ultrathin Silica Separation Membrane with Embedded Molecular Wires for Artificial Photosynthesis.

Hongna Zhang, Ian Weiss, Indranil Rudra, Won Jun Jo, Simon Kellner, Georgios Katsoukis, Elena Galoppini, and Heinz Frei, ACS Appl. Mater. Interfaces, Vol. 13, 23532–23546, May 2021.

Hydrogen supply chain and challenges in large-scale LH2 storage and transportation.

Ram R. Ratnakar, Nikunj Gupta, Kun Zhang, Casimir van Doorne, James Fesmire, Birol Dindoruk, Vemuri Balakotaiah, International Journal of Hydrogen Energy (2021), May 2021.

Carbon Deposition and Permeation on Nickel Surfaces in Operando Conditions: A Theoretical Study.

Lei, T., Mao, J., Liu, X., Pathak, A.D., Shetty, S., van Bavel, A.P., Xie, L., Gao, R., Ren, P., Luo, D. and Liu, Q., The Journal of Physical Chemistry C, 125(13), pp.7166-7177. March 2021.

2020

Effect of Dilution on Acoustic and Transport Properties of Reservoir Fluid Systems.

Ratnakar, R. R., Lewis, E. J., & Dindoruk, B. SPE Journal, SPE-190480-PA, December 2020.

Review of recent advances in petroleum fluid properties and their representation. Journal of Natural Gas Science and Engineering.

Birol Dindoruk, Ram R. Ratnakar, Jiajun He, 83: 103541, November 2020.

Investigations on 6FDA/BPDA-DAM polymer melt properties and CO2 adsorption using molecular dynamics simulations.

Roy, P.K., Kumar, K., Thakkar, F.M., Pathak, A.D., Ayappa, K.G. and Maiti, P.K., 2020. Journal of Membrane Science, 613, p.118377. November 2020.

A Hybrid Approach for the Prediction of Relative Permeability Using Machine Learning of Experimental and Numerical Proxy SCAL Data.

SPE Journal. Zhao, B., Ratnakar, R., Dindoruk, B., & Mohanty, K., October 2020.

Multilayer graphene coated vanadium (V) oxide as electrodes for intercalation based brackish water desalination.

Baburaj, A., Puthirath, A.B., Jain, A., Palanisamy, D., Salpekar, D., Balachandran, J., Kabbani, M.A., Hernandez, F.R., Hughes, G., Babu, G. and Ajayan, P.M., 2D Materials, 7(4), p.045025, September 2020.

On the Prediction of Gas Solubility in Brine Solutions with single or mixed salts: Applications to Gas Injection and CO2 Capture/Sequestration.

Ratnakar, R. R., Venkatraman, A., Kalra, A., Dindoruk, B., Journal of Natural Gas Science and Engineering Volume 81, 103450, September 2020.

Thermodynamic Modeling of Hydrogen-Water System for High-pressure Storage and Mobility Applications.

Ratnakar, R. R., Dindoruk, B., & Harvey, A. JNGSE, September 2020.

Continuous Subsurface Tomography over Cellular Internet of Things.

Hadi Jamali-Rad, Vincent van Beveren, Xander Campman, Jo van den Brand, Detlef Hohl, IEEE Sensors Journal, September 2020.

Theoretical Insights into the Structure and Activity of Cobalt Modulated by Surface and Subsurface Carbon in Operando Conditions.

Luo, D., Liu, X., Gao, R., Pathak, A.D., Shetty, S., van Bavel, A.P., Yang, Y., Li, Y.W. and Wen, X.D., The Journal of Physical Chemistry C, 124(34), pp.18576-18586, August 2020.

Mimicking coalescence using a pressure-controlled dynamic thin film balance.

Emmanouil Chatzigiannakis, Peter Veenstra, Dick ten Boschb and Jan Vermant Soft Matter 41, August 2020.

High Bit-Depth Seismic Data Compression: A Novel Codec Under the Framework of HEVC.

M. Radosavljevic, Z, Xiang, L. Lu, D. Hohl, D. Vukobratovic, IEEE Access, Vol. 8, July, 2020.

Nonlinear state-space modeling approaches to real-time autonomous geosteering .

Yinsen Miao, Daniel R. Kowal, Neilkunal Panchal, Jeremy Vila, and Marina Vannucci, Journal of Petroleum Science and Engineering 189, 107025, June 2020.

Impact of Asphaltenes on Contact-Angle Variations and Surface Topography and Composition.

Ratnakar, R. R., Mantilla, C. A., & Dindoruk, B. SPE Journal, June 2020.

Reactor Engineering Aspects of the Lateral Flow Reactor.

LA Vandewalle, S De, KM Van Geem, GB Marin, R Bos - Industrial & Engineering Chemistry Research 59 (24), 11157-11169, May 2020.

Continuous Subsurface Tomography over Cellular Internet of Things.

Hadi Jamali-Rad, Vincent van Beveren, Xander Campman, Jo van den Brand, Detlef Hohl, IEEE Sensors Journal, doi: 10.1109/JSEN.2020.2992464. May 2020.

Continuous Subsurface Tomography Over Cellular Internet of Things (IoT).

Hadi Jamali-Rad, Vincent van Beveren, Xander Campman, Jo van den Brand, Detlef Hohl, IEEE Sensors Journal, May 2020.

Signature of elastic turbulence of viscoelastic fluid flow in a single pore throat.

Eseosa M. Ekanem, Steffen Berg, Shauvik De, Ali Fadili, Tom Bultreys, Maja Rücker, Jeffrey Southwick, John Crawshaw, and Paul F. Luckham; Phys. Rev. E 101, 042605, April 2020.

Temperature-Dependent Surface Free Energy and the Wulff Shape of Iron and Iron Carbide Nanoparticles.

A Molecular Dynamics Study; Mengjiao Xing, Amar-Deep Pathak, Suchismita Sanyal, Qing Peng, Xingchen Liu, Xiaodong Wen, Applied Surface Science 509, 15 April 2020.

Nucleation and Growth of a Nanobubble on Rough Surfaces.

Shantanu Maheshwari, Cor van Kruijsdijk, Suchismita Sanyal and Albert D. Harvey, Langmuir, 36, 15, 4108–4115, April 2020.

First-Principles Characterization and Experimental Validation of the Solid–Solid Interface in a Novel Organosulfur Cathode for the Li–S Battery.

Satyanarayana Bonakala, Amar Deep Pathak, Alexey Deyko, Christina Christova, Indranil Rudra, Guy Verbist, ACS Appl. Mater. Interfaces 12, 15, 18101-18109, March 2020.

Mass diffusivity and thermal conductivity estimation of chloride-based salt hydrates for thermo-chemical heat storage: A molecular dynamics study using the reactive force field.

Pathak, A.D., Heijmans, K., Nedea, S., van Duin, A.C., Zondag, H., Rindt, C. and Smeulders, D., International Journal of Heat and Mass Transfer, 149, p. 119090, March 2020.

Effect of GOR on Gas Diffusivity in Reservoir-Fluid Systems.

SPE Journal. Ratnakar, R. R., & Dindoruk, B., February 2020.

A comparative analysis of bubble point pressure prediction using advanced machine learning algorithms and classical correlations.

X. Yang, B. Dindoruk, L. Lu, , Journal of Petroleum Science and Engineering, Vol 185, February 2020.

Evaluating the Reactivity of BiVO4 Surfaces for Efficient Electrocatalytic H2O2 Production: A Combined Experimental and Computational Study.

Ashish Nadar, Somil Subhashchandra Gupta, Yusuf Kar, Sharan Shetty, Alexander P. van Bavel, and Deepa Khushalani; J. Phys. Chem. C, 124, 4152−4161, 2020.

Psi-PIV: a novel framework to study unsteady microfluidic flow.

Ankur Kislaya, Antaran Deka, Peter Veenstra, Daniel S. W. Tam & Jerry Westerweel, Experiments in Fluids 61, Article number: 20, 2020.

2019

Accelerating Least Squares Imaging Using Deep Learning Techniques.

Vamaraju J., Vila J., Araya-Polo M., Datta D., Sidahmed M. and Sen M..”, Machine Learning and the Physcial Sciences workshop at NeurIPS, Vancouver, Canada, December 2019.

FaciesNet: Machine Learning Applications for Facies Classification in Well Logs.

C Jaikla, P Devarakota, N Auchter, M Sidahmed, I Espejo, Machine Learning and the Physical Sciences Workshop at NeurIPS, December 2019.

Enhanced Data Pre-processing in Batch Multivariate Statistical Process Control.

Fuentes-García, N.M., González-Martinez, J.M., Maciá-Fernández, G., Camacho, J. PARAMO, Journal of Chemometrics, 33 (12): e3188., November 2019.

A New Technique for Simultaneous Measurement of Nanodarcy-Range Permeability and Adsorption Isotherms of Tight Rocks Using Magnetic Suspension Balance.

Ratnakar, R. R., & Dindoruk, B. 24 (06): 2482–2503, September 2019.

Stochastic clustering and pattern matching for real-time geosteering .

Mingqi Wu*, Yinsen Miao*, Neilkunal Panchal, DR Kowal, M Vannucci, Jeremy Vila, and Faming Liang, Geophysics 84 (5), ID13-ID24 1, September 2019.

A Machine Learning Methodology based on Domain Knowledge Constraints for Well Data Integration and Well Production Prediction.

Detlef Hohl, John Tolle, Jan Limbeck, Ligang Lu, and Mingqi Wu, Alvaro Bueno, Bianca Zadrozny, Breno Carvalho, Helon Hultmann, Jorge Guevara, and Matthias Kormaksson, SPE Reservoir Evaluation and Engineering, SPE 195690-PA, July 2019.

Machine learning constrained with dimensional analysis and scaling laws: Simple, transferable and interpretable models of materials from small datasets.

Narendra Kumar, Padmini Rajagopalan, Praveen Pankajakshan, Arnab Bhattacharyya, Suchismita Sanyal, Janakiraman Balachandran, and Umesh V. Waghmare, Chemistry of Materials 2019, 31, 2, 314-321, June 2019.

Analysis and interpretation of pressure-decay tests for gas/bitumen and oil/bitumen systems: methodology development and application of new linearized and robust parameter-estimation technique using laboratory data.

Ratnakar, R. R., & Dindoruk, B. (2019). SPE Journal, 24(03), pp951-972, June 2019

Deep Learning Applied to Fault Interpretation and Attribute Computation.

Griffith, D., Zamanian, A., Vila J., Potter R. D., Vial-Aussavy, A. and Menapace, F., 2019 AAPG Annual Convention and Exhibition, San Antonio, TX, May 2019.

Ultrasonic Sonochemical Synthesis of Na0.44MnO2 Insertion Material for Sodium-ion Batteries.

Ganesh S Shinde, Prem Depon Nayak, V Sai Pranav, Sandeep K Jain, Amar Deep Pathak, Suchismita Sanyal, Janakiraman Balachandran, Prabeer Barpanda, Journal of Power Sources 416, pp50–55, March 2019.

High-resolution multi-objective optimization of feedstock landscape design for hybrid first and second generation biorefineries.

Trung H. Nguyen, Julien Granger, Deval Pandya, Keith Paustian, Applied Energy,Volume 238,Pages 1484-1496,ISSN 0306-2619, March 2019.

Equation of state of fluid methane from first principles with machine learning potentials.

Max Veit, Sandeep Kumar Jain, Satyanarayana Bonakala, Indranil Rudra, Detlef Hohl, Gábor Csányi; Journal of chemical theory and computation, 15, 4, February 2019.

The Effect of Lanthanum Doping and Oxygen Vacancy on Perovskite, Pyrochlore Oxide and Lanthanide Titanates: A First Principle Study.

Amar Deep Pathak, Foram Thakkar, Suchismita Sanyal, Arian Nijmeijer and Hans Geerlings; MRS Advances 2019, 4 (20) pp 1167-1175, January 2019.

Measurement and Quantification of Diffusion-Induced Compositional Variations in Absence of Convective Mixing at Reservoir Conditions.

Ratnakar, R. R., Dindoruk, B., Odikpo, G., & Lewis, E. J. (2019). Transport in Porous Media, 128(1), 29-43, January 2019.

2018

MVBatch: A matlab toolbox for batch process modeling and monitoring .

González-Martinez, J.M., Camacho, J., Ferrer, A.J., Chemometrics and Intelligent Laboratory Systems, 183: 122-133, December 2018.

MT-CGCNN: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction.

Soumya Sanyal, Janakiraman Balachandran, Naganand Yadati, Abhishek Kumar, Padmini Rajagopalan, Suchismita Sanyal, Partha Talukdar; November 2018.

Generation of ground truth images to validate micro-CT image-processing pipelines.

Berg, S., Saxena, N., Shaik, M., Pradhan, C. The Leading Edge, 37(6), 412-420., June 2018.