Submissions from 2026
Continuous methane partial oxidation over Au/ZSM-5 catalysts, Mark B.F. Berko, A. K.M. Kazi Aurnob, Richard J. Lewis, Thomas E. Davies, Guodong Qi, Jun Xu, and Stuart H. Taylor
Martini Mapper: An Automated Fragment-Based Mapping Algorithm for Developing Coarse-Grained Models within the Martini 3 Framework, Kevin V. Bigting, Shubhadeep Nag, and Yaxin An
Low-cost lipid-based substrates for solid-phase denitrification: Performance comparison of soy wax, stearic acid, and polyhydroxybutyrate, Chinedu James Chiama, Maria Teresa Gutierrez-Wing, Chimezie John Chiama, Somtochukwu O. Anyaorah, Emmanuel Chima Eze, Mike Benton, and Ronald F. Malone
Denitrification performance of polyhydroxybutyrate/cellulose (PHBC) blend with and without a nitrogen-driven degassing column, Chinedu James Chiama, Maria Teresa Gutierrez-Wing, Chimezie John Chiama, Mike Benton, and Ronald F. Malone
An In-Silico Study on the Design of Biological Controllers for Sepsis Regulation, Derrick Dankwa, Syeda Simra Shoaib, Leopold N. Green, and Xun Tang
Multilevel Regulation in RNA-Protein Hybrid Incoherent Feed-Forward Loop Circuits for Tunable Pulse Dynamics in Escherichia coli, Seongho Hong, Syeda Simra Shoaib, Mathias Foo, Xun Tang, and Jongmin Kim
Methane partial oxidation over Rh/ZSM-5 catalysts in a high-pressure continuous flow reactor, A. K.M. Kazi Aurnob, Mark B.F. Berko, Jialin Yu, David Chadwick, Kang Li, Richard J. Lewis, and Thomas Davies
Machine learning-based optimal control for colloidal self-assembly, Andres Lizano-Villalobos, Fangyuan Ma, Wentao Tang, Wei Sun, and Xun Tang
Uncovering Structure–Conductivity Relationships in Anion Exchange Membranes (AEMs) Using Interpretable Machine Learning, Pegah Naghshnejad, Debojyoti Das, Jose A. Romagnoli, Revati Kumar, and Jianhua Chen
Mapping fusion-driven cell reprogramming through integrative single-cell computational frameworks, Fateme Nazaryabrbekoh, Jo Anne Huang, Syeda S. Shoaib, Xun Tang, Somayeh Ebrahimi-Barough, Joohyun Kim, and Brenda M. Ogle
Modifying Ni active sites with Ga and Co and optimizing reactant feed conditions to improve low temperature activity and stability in the dry reforming of methane, Gabriel T. Otusanya, Jonathan Lucas, Tiana Plaisance, Changyi Jiang, and Kerry M. Dooley
A Multisite Microkinetic Framework for Describing Interfacial Kinetics in Dry Methane Reforming (DRM) over Ni-CeO2Catalysts, Nirenjan Shenoy Padmanabha Naveen, Kerry M. Dooley, Michael J. Janik, Gina Noh, and Konstantinos Alexopoulos
Steady rotation and wall-mediated dynamics of magnetic Janus particles in oscillating fields, Amrutha Raghu, Kyle J.M. Bishop, and Bhuvnesh Bharti
Intelligent temporal synchronization enhanced cointegration framework for non-stationary industrial process monitoring, Jingzhi Rao, Cheng Ji, Kyle Territo, Jingde Wang, Wei Sun, and Jose A. Romagnoli
Graph-Based, Time-Warped Embedding for Time Series Analysis and Process Monitoring, Kyle Territo and Jose A. Romagnoli
Theoretical investigation of decomposition and hydrolysis of sulfonamides on CeO2(111), Ye Xu and Timm McNeese
Direct oxidative carbonylation of waste methane to acetic acid over Rh/zeolite catalysts, Jialin Yu, Olukayode Gideon Oloyede, Mark B.F. Berko, Kunlun Ding, Richard J. Lewis, Stuart H. Taylor, and Graham J. Hutchings
Submissions from 2025
Colloid and Interface Science for Understanding Microplastics and Developing Remediation Strategies, Ahmed Al Harraq, Philip J. Brahana, and Bhuvnesh Bharti
Non-Reciprocity, Metastability, and Dynamic Reconfiguration in Co-Assembly of Active and Passive Particles, Ahmed Al Harraq, Ruchi Patel, Jin Gyun Lee, Ope Owoyele, Jaehun Chun, and Bhuvnesh Bharti
Anolyte Buffering and CO Coverage Effects in the Electrochemical Reduction of CO at Cu Electrocatalysts, Mustapha Bello, Monsuru Olatunji Dauda, John Hendershot, Nkechi Kingsley, Ignace Agbadan, Junghyun Park, and Soundarzo Tasnim
Machine learning of the architecture-property relationship in graft polymers, Kevin V. Bigting, Jordan J. Carden, Shubhadeep Nag, Jimmy Lawrence, Yen Fang Su, and Yaxin An
Water Salinity Impacts Aggregation, Settling, and Deposition of Fluvial Sediment, Philip J. Brahana and Bhuvnesh Bharti
Capillary Wave-Assisted Colloidal Assembly, Ma Cayla J. Caso, Luis D.B. Manuel, Cameron Bachar, Minerva G. Schafer, Nicholas S. Lombardo, Gloria E. Alvarado, Alona Komarenko, Kiana Manoo, Ali Mehrnezhad, Kidong Park, et al.
Denitrification using polyhydroxybutyrate/cellulose blend (PHBC) as a carbon substrate, Chinedu James Chiama, Maria Teresa Gutierrez-Wing, Chandra S. Theegala, Mike Benton, and Ronald F. Malone
Highly Selective Electrolytic Reduction of CO2to Ethylene, Monsuru Olatunji Dauda, Mustapha Bello, John Hendershot, Nkechi Kingsley, Ignace Agbadan, Junghyun Park, and Soundarzo Tasnim
Recent Advances in Reinforcement Learning for Chemical Process Control, Venkata Srikar Devarakonda, Wei Sun, Xun Tang, and Yuhe Tian
A Career in C1 Catalysis – James Jerome (Jerry) Spivey, Kunlun Ding
Reinforcement Learning-Based Motion Control of Four In-Wheel Motor-Actuated Electric Vehicles, Jones B. Essuman, Xiangyu Meng, Xun Tang, and Michael D. Curry
Nonclassical Multiphoton Plasmonic Sensing, Jannatul Ferdous, Cameron Bachar, Mingyuan Hong, B. Riley B. Dawkins, Chenglong You, Kevin M. McPeak, and Omar S. Magana-Loaiza
Microstructure Control of Polymer Films via Air-Assisted Electrospray for Binderless Electrodes, Kenneth Gordon, Nduka Ogbonna, Griffin Usie, Zhen Wei, Samuel Dayo Owoso, Donghui Zhang, and Jimmy Lawrence
Fatty acid foams for nonselective physical removal of microplastics from aqueous solutions, Kennedy A. Guillot, Philip J. Brahana, Joseph C. Romanos, Gernot Rother, Michael G. Benton, and Bhuvnesh Bharti
Anion Exchange Membrane Transport and Accelerated Lifetime Testing of Membrane Electrode Assembly Cells for the Electrochemical Reduction of CO2-to-C2 Products, John Hendershot, Monsuru Dauda, Soundarzo Tasnim, Ignace Agbadan, Nicholas Lombardo, Junghyun Park, and Mustapha Bello
Structure of chemisorbed 1,3-butadiene on the Cu(111) surface, Mohammad Rahat Hossain, Ahmad Arshadi, Ye Xu, and Michael Trenary
pH-tuned reversible self-assembly of Janus particles for enhanced Raman imaging and sensing, Maria Iftesum, Mohan Kumar Dey, Alisha Prasad, Jin Gyun Lee, Ram Devireddy, Bhuvnesh Bharti, and Manas Ranjan Gartia
Rapid Analysis of Sugarcane with High Extraneous Matter by Near-Infrared Spectroscopy, Stephania Imbachi Ordonez, Kevin M. McPeak, and Gillian Eggleston
Quantifying Extraneous Matter in Shredded Sugarcane Using Near-Infrared Spectroscopy, Stephania Imbachi-Ordonez, Kevin M. McPeak, and Gillian Eggleston
Adsorption and Thermal Stability of Phenylphosphonic Acid on Cerium Oxides, Viacheslav Kalinovych, Lesia Piliai, Yuliia Kosto, Sascha L. Mehl, Tomáš Skála, Kevin C. Prince, and Iva Matolínová
Orthogonal long short-term memory autoencoder for semi-supervised soft sensor modeling, Fangyuan Ma, Cheng Ji, Jingde Wang, Wei Sun, and Jose A. Romagnoli
Au Bipyramids as NIR-II Contrast Agents for In Vivo Plant Imaging, Luis D.B. Manuel, Debarati Basu, Mary Beth Rollins, Vinoin Devpaul Vincely, Pelham Keahey, Martin Villiger, and Carolyn L. Bayer
Intermittent CO2 electrolysis needs its time in the sun, Izak Minnie, Hyunjik K. Kim, John Flake, and Dongxia Liu
Raman Evidence for the Mechanism of Enhanced C–C Coupling during CO2RR on CuSnx Bimetallic Electrocatalysts at Dilute Sn Levels, Mritunjay Mishra, Emmanuel Obetta, Monsuru Olatunji Dauda, John Flake, and Koffi P.C. Yao
Electronic and geometric features controlling the reactivity of Mg-vanadate and V2O5 surfaces toward the initial C–H activation of C1–C3 alkanes – A DFT+U study, Hansel Montalvo-Castro, Álvaro Loaiza-Orduz, Randall J. Meyer, Craig Plaisance, and David Hibbitts
Graph-Based Modeling and Molecular Dynamics for Ion Activity Coefficient Prediction in Polymeric Ion-Exchange Membranes, P. Naghshnejad, G. Theis Marchan, T. Olayiwola, R. Kumar, and J. A. Romagnoli
A CLASS DESCRIPTION FOR THE STUDY OF MODIFYING EXISTING DISTILLATION COLUMN CONFIGURATIONS FOR IMPROVED ENERGY EFFICIENCY AND INCREASED CAPACITY, Justin Nijoka and John G. Pendergast
Precipitation and binder effectiveness in the electrochemical reduction of CO2 at Cu electrocatalysts in zero-gap MEA cells, Sohrab Bin Noor, John C. Hendershot, Orhan Kizilkaya, John Flake, and Phillip T. Sprunger
Discrete Brush Polymers Enhance19F MRI Performance through Architectural Precision, Nduka D. Ogbonna, Parikshit Guragain, Venkatesh Mayandi, Cyrus Sadrinia, Raman Danrad, Seetharama Jois, and Jimmy Lawrence
Copper-Epoxy Interface Engineering for High-Frequency Chip-to-Chip Interconnects, Junghyun Park, Ignace Agbadan, Monsuru Dauda, Mustapha Bello, John Hendershot, Soundarzo Tasnim, and Omotolani Oduyebo
Fundamental Insights into Copper-Epoxy Interfaces for High-Frequency Chip-to-Chip Interconnects, Junghyun Park, Monsuru Dauda, Mustapha Bello, Ignace Agbadan, Anthony Christian Engler, Jaimal M. Williamson, and Varughese Mathew
Comparison of Nucleation, Chemical State, and Energetics of Ni and Co Nanoparticles on CeO2(111), Nishan Paudyal, Linze Du Hill, Erik W. Peterson, Nusrat Jahan Rifat, Ye Xu, and Jing Zhou
Modified Adsorption Energies on Single-Layer IrO2 and RuO2 Films of IrO2-RuO2 Heterostructures: Localized Effect of Subsurface Metal-Oxygen Ligands, Suriya Ramasubramanian, Jisu Shin, Christopher J. Lee, Chethana Sudarshan, Omar Almarshad, Alvaro Loaiza Orduz, and Randall J. Meyer
Improved Performance of Catalysts Containing Pt, Pt-Sn, and V in the Dehydrogenation of n-Butane by Radio-Frequency Induction Heating, Cameron L. Roman, Jonathan Lucas, James A. Dorman, and Kerry M. Dooley
Feed-forward loop improves the transient dynamics of an antithetic biological controller, Thales R. Spartalis, Mathias Foo, and Xun Tang
Designing biological network motif-based controllers by reverse engineering Hill function-type models from linear models, Matthew Spurgeon, Tea Clark, Thales Rossi Spartalis, Alexander Darlington, Xun Tang, and Mathias Foo
VAE-Assisted Data Augmentation for Improved Molecular Prediction with Graph Neural Networks (GNNs) in Low-Data Regimes, Gabriela C. Theis Marchan, Pegah Naghshnejad, Andrew Okafor, and José A. Romagnoli
Strong electrostatic adsorption sequence of Ni and Co affects low temperature dry reforming performance over NiCo/MgAlOx/ZrO2, Jin Wang, Jonathan Lucas, Hayato Nakashima, Isao Ogino, Kerry M. Dooley, and Oz M. Gazit
Selective Recovery of Critical Minerals from Simulated Electronic Wastes Via Reaction-Diffusion Coupling, Qingpu Wang, Yucheng Fu, Erin A. Miller, Duo Song, Philip J. Brahana, Andrew Ritchhart, and Zhijie Xu
Salt-responsive behaviors of PVBTACl, NaPSS, and their complex by molecular dynamics simulations and experiments, Tianyi Wang, Shubhadeep Nag, Ruchi Patel, Sabit Timilsina, Bhuvnesh Bharti, Yen Fang Su, and Yaxin An
A double-U approach to more accurate metal adsorption energies on ceria, Ye Xu and Nusrat Jahan Rifat
Colloidal Monolayers with Short-Range Attractions and Dipolar Repulsions, Chieh Chih George Yeh, Harold W. Hatch, Adithya N. Sreenivasan, Bhuvnesh Bharti, Vincent K. Shen, Zachary M. Sherman, and Thomas M. Truskett
Submissions from 2024
Effects of charge asymmetry on the liquid-liquid phase separation of polyampholytes and their condensate properties, Yaxin An, Tong Gao, Tianyi Wang, Donghui Zhang, and Bhuvnesh Bharti
Recent Mechanistic Insights into Some Enzyme Mimetic Functions of Ceria, Suman Bhasker-Ranganath and Ye Xu
Surface Science View of Perfluoroalkyl Acids (PFAAs) in the Environment, Philip J. Brahana, Ruchi Patel, and Bhuvnesh Bharti
Weathering influences the ice nucleation activity of microplastics, Philip Brahana, Mingyi Zhang, Elias Nakouzi, and Bhuvnesh Bharti
Reconsidering the Reliability of Chemical Process Simulators I: Implementation of the Murphree and Vaporization Efficiencies, Zachary Braswell, Brian F. Hanley, and Holt Ragsdale
Non-Catalytic direct partial oxidation of methane to methanol in a Wall-Coated microreactor, Kelly Cohen, Justin Blanchard, Paul Rodriguez, Kevin Kelly, James A. Dorman, and Kerry M. Dooley
Electrochemical Reduction of CO2: A Common Acetyl Path to Ethylene, Ethanol or Acetate, Monsuru Dauda, John Hendershot, Mustapha Bello, Junghyun Park, Alvaro Loaiza Orduz, Nicholas Lombardo, Orhan Kizilkaya, Phillip Sprunger, Anthony Engler, Craig Plaisance, et al.
Activity and Selectivity in the Electrochemical Reduction of CO2 at CuSnx Electrocatalysts Using a Zero-Gap Membrane Electrode Assembly, Monsuru Dauda, John Hendershot, Mustapha Bello, Junghyun Park, Alvaro Loaiza Orduz, Orhan Kizilkaya, Phillip Sprunger, Anthony Engler, Koffi Yao, Craig Plaisance, et al.
Photoinitiated thermoset polymerization through controlled release of metathesis catalysts encapsulated in poly(phthalaldehyde), Oleg Davydovich, Josephine Lewis, Mikayla Romero, Julia Deitz, Francesca C'deBaca, Jared M. Schwartz, Anthony C. Engler, Paul A. Kohl, Samuel C. Leguizamon, and Brad H. Jones
Field-Directed Motion, Cargo Capture, and Closed-Loop Controlled Navigation of Microellipsoids, Hashir M. Gauri, Ruchi Patel, Nicholas S. Lombardo, Michael A. Bevan, and Bhuvnesh Bharti
Selective Vapor Condensation for the Synthesis and Assembly of Spherical Colloids with a Precise Rough Patch, Kennedy A. Guillot, Philip J. Brahana, Ahmed Al Harraq, Nduka D. Ogbonna, Nicholas S. Lombardo, Jimmy Lawrence, Yaxin An, Michael G. Benton, and Bhuvnesh Bharti
Computational Design of an Electro-Organocatalyst for Conversion of CO2 into Formaldehyde, Foroogh Khezeli and Craig Plaisance
Computational Design of an Electro-Organocatalyst for Conversion of CO2 into Long Chain Aldehydes, Foroogh Khezeli and Craig Plaisance
Operating condition design with a Bayesian optimization approach for pharmaceutical intermediate batch concentration, Chong Liu, Chengyu Han, Chenxi Gu, Wei Sun, Jingde Wang, and Xun Tang
Siamese neural network improves the performance of a convolutional neural network in colloidal self-assembly state classification, Andres Lizano-Villalobos, Benjamin Namikas, and Xun Tang
Chemically Amplified, Dry-Develop Poly(aldehyde) Photoresist, Jose Lopez Ninantay, Anthony Engler, Jared Schwartz, and Paul A. Kohl
Improved Selectivity and Stability in Methane Dry Reforming by Atomic Layer Deposition on Ni-CeO2-ZrO2/Al2O3 Catalysts, Jonathan Lucas, Nirenjan Shenoy Padmanabha Naveen, Michael J. Janik, Konstantinos Alexopoulos, Gina Noh, Divakar Aireddy, Kunlun Ding, James A. Dorman, and Kerry M. Dooley
MOLA: Enhancing Industrial Process Monitoring Using a Multi-Block Orthogonal Long Short-Term Memory Autoencoder, Fangyuan Ma, Cheng Ji, Jingde Wang, Wei Sun, Xun Tang, and Zheyu Jiang
Exploring nontraditional LSTM architectures for modeling demethanizer column operations, Marta Mandis, Roberto Baratti, Jorge Chebeir, Stefania Tronci, and José A. Romagnoli
Palladium Nano-Dispersed and Stabilized in Organically Modified Silicate as a Heterogeneous Catalyst for the Conversion of Aldehydes into O -Silyl Ether Derivatives under Neat Conditions, Caitlyn M. Matherne, Jordan E. Wroblewski, Heather S. Drago, Gabriela T. Marchan, Alexis R. Young, Nkechi Kingsley, Craig P. Plaisance, and Jean Fotie
Vibrational study of CO, O2, and H2 Adsorbed on the CoCrFeNi (110) High Entropy Alloy Surface, Frank McKay, Andrew N. Okafor, David P. Young, Ye Xu, and Phillip T. Sprunger
Theoretical and experimental analysis of the modulated phase grating X-ray interferometer, Hunter Meyer, Joyoni Dey, Sydney Carr, Kyungmin Ham, Leslie G. Butler, Kerry M. Dooley, Ivan Hidrovo, Markus Bleuel, Tamas Varga, Joachim Schulz, et al.
Combining Predictive Models and Reinforcement Learning for Tailored Molecule Generation, Miriam Nnadili, Andrew N. Okafor, David Akinpelu, Teslim Olayiwola, and Jose Romagnoli
Surfactant-Specific AI-Driven Molecular Design: Integrating Generative Models, Predictive Modeling, and Reinforcement Learning for Tailored Surfactant Synthesis, Miriam Nnadili, Andrew N. Okafor, Teslim Olayiwola, David Akinpelu, Revati Kumar, and Jose A. Romagnoli
Interparticle Interactions of Dendrimer, Comb, and Linear Grafted Nanoparticles via Coarse-Grained Molecular Dynamics Simulations, Pouria Nourian, Jimmy Lawrence, and Andrew J. Peters
Hydrogen Adsorption on Ordered and Disordered Pt-Fe and Pt-Co Alloys, Andrew Okafor, William A. Shelton, and Ye Xu
Synergizing Data-Driven and Knowledge-Based Hybrid Models for Ionic Separations, Teslim Olayiwola, Luis A. Briceno-Mena, Christopher G. Arges, and Jose A. Romagnoli
Empowering Capacitive Devices: Harnessing Transfer Learning for Enhanced Data-Driven Optimization, Teslim Olayiwola, Revati Kumar, and Jose A. Romagnoli
The Structure, Oxidation States, and Energetics of Co Nanoparticles on CeO2(111): An STM and DFT Study, Md Saeedur Rahman, Nishan Paudyal, Linze Du Hill, Jing Zhou, and Ye Xu
Role of dopant in the formation of reactive oxygen species and oxidation catalysis on CeO2(1 1 1), Md Saeedur Rahman and Ye Xu
A microfluidic approach to study variations in Chlamydomonas reinhardtii alkaline phosphatase activity in response to phosphate availability, Alireza Rahnama, Manibarathi Vaithiyanathan, Luis Briceno-Mena, Travis M. Dugas, Kelly L. Yates, Jose A. Romagnoli, and Adam T. Melvin
High-Order Nonstationary Feature Extraction for Industrial Process Monitoring Based on Multicointegration Analysis, Jingzhi Rao, Cheng Ji, Jingde Wang, Wei Sun, and Jose A. Romagnoli
AI in chemical engineering: Unlocking the power within data, José A. Romagnoli, Luis Briceño-Mena, and Vidhyadhar Manee
Scaling the polymerization of polyaldehydes through continuous flow synthesis, Jared M. Schwartz, Paul A. Kohl, and Anthony Engler
Photoactivated Cyclic Polyphthalaldehyde Microcapsules for Payload Delivery, Youngsu Shin, Jared M. Schwartz, Anthony C. Engler, Brad Jones, Oleg Davydovich, and Paul A. Kohl
Data-based health indicator extraction for battery SOH estimation via deep learning, Tingting Tao, Cheng Ji, Jindong Dai, Jingzhi Rao, Jingde Wang, Wei Sun, and Jose Romagnoli
FASTMAN-JMP: All-in-one Tool for Data Mining and Model Building, Kyle Territo and Jose Romagnoli
Trends in hot carrier distribution for disordered noble-transition metal alloys, Eklavya Thareja, Kevin M. McPeak, Phillip T. Sprunger, Ilya Vekhter, and William A. Shelton
Anomalous Role of Carbon in Pd-Catalyzed Selective Hydrogenation, Peng Zhai, Divakar R. Aireddy, Mark B. Berko, Ahmad Arshadi, Michael J. Zachman, David A. Cullen, Ye Xu, and Kunlun Ding
The role of surface chemistry in the synthesis of supported CuPd bimetallic/intermetallic catalysts for selective hydrogenation reactions, Peng Zhai, David A. Cullen, and Kunlun Ding
Submissions from 2023
TiOx-supported Na-Mn-W oxides for the oxidative coupling of methane, Divakar R. Aireddy, Amitava Roy, David A. Cullen, and Kunlun Ding