Chemical Engineering and Materials Science

Research output

Research output per year 1964 2005 2006 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2024

• 6208 Article
• 562 Conference contribution
• 274 Conference article
• 178 Review article
• 379 More
  • 103 Chapter
  • 98 Comment/debate
  • 76 Paper
  • 43 Editorial
  • 30 Letter
  • 13 Short survey
  • 9 Book
  • 5 Foreword/postscript
  • 1 Patent
  • 1 Working paper

Research output per year

Research output per year

Search results

• 2024

  3D interfaces enhance nanolaminate strength and deformability in multiple loading orientations

  Cheng, J. Y., Wang, J., Chen, Y., Xu, S., Barriocanal, J. G., Baldwin, J. K., Beyerlein, I. J. & Mara, N. A., Apr 1 2024, In: Acta Materialia. 267, 119697.

  Research output: Contribution to journal › Article › peer-review

  • Formability 100%
  • Shear 87%
  • Transmission electron microscopy 64%
  • Crystals 62%
  • Strength 60%
  1 Scopus citations

• A mixed integer linear programming approach for the design of chemical process families

  Stinchfield, G., Morgan, J. C., Naik, S., Biegler, L. T., Eslick, J. C., Jacobson, C., Miller, D. C., Siirola, J. D., Zamarripa, M., Zhang, C., Zhang, Q. & Laird, C. D., Apr 2024, In: Computers and Chemical Engineering. 183, 108620.

  Research output: Contribution to journal › Article › peer-review

  • Decarbonization 100%
  • Linear programming 54%
  • Industry 43%
  • Carbon Atom 27%
  • Water treatment 18%
  1 Scopus citations

• Boundary Frustration in Double-Gyroid Thin Films

  Magruder, B. R., Morse, D. C., Ellison, C. J. & Dorfman, K. D., Apr 16 2024, In: ACS Macro Letters. 13, 4, p. 382-388 7 p.

  Research output: Contribution to journal › Article › peer-review

  • Wetting 100%
  • Thin films 92%
  • Liquid Film 47%
  • Block copolymers 45%
  • Field Theory 45%

• Catalytic resonance theory: Circumfluence of programmable catalytic loops

  Murphy, M. A., Gathmann, S. R., Bartel, C. J., Abdelrahman, O. A. & Dauenhauer, P. J., Feb 2024, In: Journal of Catalysis. 430, 115343.

  Research output: Contribution to journal › Article › peer-review

  • Surface reactions 100%
  • Resonance 97%
  • Surface Reaction 72%
  • Catalysts 59%
  • Turnover Frequency 57%
  1 Scopus citations

• Characterizing stress development and cracking of ceramic particulate coatings during drying

  Moorhead, A. & Francis, L. F., May 2024, In: Journal of the American Ceramic Society. 107, 5, p. 2837-2848 12 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Drying 100%
  • Ceramic 79%
  • Coatings 78%
  • Coating Agent 62%
  • Cantilever Beam 41%

• Community detection in the human connectome: Method types, differences and their impact on inference

  Brooks, S. J., Jones, V. O., Wang, H., Deng, C., Golding, S. G. H., Lim, J., Gao, J., Daoutidis, P. & Stamoulis, C., Apr 2024, In: Human Brain Mapping. 45, 5, e26669.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Connectome 100%
  • Brain 10%
  • Magnetic Resonance Imaging 8%
  • Community Networks 6%
  • Organizations 3%

• Computationally efficient solution of mixed integer model predictive control problems via machine learning aided Benders Decomposition

  Mitrai, I. & Daoutidis, P., May 2024, In: Journal of Process Control. 137, 103207.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Benders Decomposition 100%
  • Model Predictive Control 99%
  • Machine Learning 74%
  • Efficient Solution 72%
  • Model predictive control 67%

• Cosolvent incorporation modulates the thermal and structural response of PNIPAM/silyl methacrylate copolymers

  Linn, J. D., Rodriguez, F. A. & Calabrese, M. A., Mar 21 2024, In: Soft Matter. 20, 15, p. 3322-3336 15 p.

  Research output: Contribution to journal › Article › peer-review

  • Silyl 100%
  • copolymers 89%
  • Acrylamide 86%
  • Methacrylate 77%
  • Copolymer 60%

• Crystal-chemical origins of the ultrahigh conductivity of metallic delafossites

  Zhang, Y., Tutt, F., Evans, G. N., Sharma, P., Haugstad, G. D., Kaiser, B., Ramberger, J., Bayliff, S., Tao, Y., Manno, M. A., Garcia-Barriocanal, J., Chaturvedi, V., Fernandes, R. M., Birol, T., Seyfried, W. E. & Leighton, C., Dec 2024, In: Nature communications. 15, 1, 1399.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Temperature 100%
  • Impurity Level 99%
  • mean free path 92%
  • Conductivity 92%
  • conductivity 91%

• Cylinders-in-Undulating-Lamellae Morphology from ABC Bottlebrush Block Terpolymers

  Cui, S., Murphy, E. A., Zhang, W., Zografos, A., Shen, L., Bates, F. S. & Lodge, T. P., Mar 13 2024, In: Journal of the American Chemical Society. 146, 10, p. 6796-6805 10 p.

  Research output: Contribution to journal › Article › peer-review

  • Terpolymers 100%
  • Polymers 58%
  • Block copolymers 54%
  • Block Copolymer 52%
  • Block Like Crystal 44%

• Drug-Polymer Nanodroplet Formation and Morphology Drive Solubility Enhancement of GDC-0810

  Barr, K. E., Ohnsorg, M. L., Liberman, L., Corcoran, L. G., Sarode, A., Nagapudi, K., Feder, C. R., Bates, F. S. & Reineke, T. M., Apr 17 2024, In: Bioconjugate Chemistry. 35, 4, p. 499-516 18 p.

  Research output: Contribution to journal › Article › peer-review

  • 3-(4-(2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-en-1-yl)phenyl)acrylic acid 100%
  • hydroxypropylmethylcellulose acetate succinate 61%
  • poly(vinylpyrrolidone-co-vinyl-acetate) 61%
  • Solubility 49%
  • Polymers 39%

• Effects of Charge Sequence Pattern and Lysine-to-Arginine Substitution on the Structural Stability of Bioinspired Polyampholytes

  Dinic, J. & Tirrell, M. V., 2024, (Accepted/In press) In: Biomacromolecules.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Arginine 100%
  • Substitution reactions 56%
  • Secondary Structure 50%
  • Substitution Reaction 35%
  • Concentration (Condition) 26%

• Electrochemical Technique to Characterize the High Temperature Oxidation Behavior of Materials

  Verrijt, K. J. H. & Poerschke, D. L., Apr 1 2024, In: Journal of the Electrochemical Society. 171, 4, 041502.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Thermooxidation 100%
  • Oxidation 65%
  • Oxygen 59%
  • oxidation 54%
  • Pump 47%

• Fabrication of Large-Area Metal-on-Carbon Catalytic Condensers for Programmable Catalysis

  Oh, K. R., Onn, T. M., Walton, A., Odlyzko, M. L., Frisbie, C. D. & Dauenhauer, P. J., Jan 10 2024, In: ACS Applied Materials and Interfaces. 16, 1, p. 684-694 11 p.

  Research output: Contribution to journal › Article › peer-review

  • Catalysis 100%
  • Carbon films 70%
  • Carbon 56%
  • Fabrication 55%
  • Capacitance 51%
  1 Scopus citations

• First-order phase transition versus spin-state quantum-critical scenarios in strain-tuned epitaxial cobaltite thin films

  Dewey, J. E., Chaturvedi, V., Webb, T. A., Sharma, P., Postiglione, W. M., Quarterman, P., Balakrishnan, P. P., Kirby, B. J., Figari, L., Korostynski, C., Jacobson, A., Birol, T., Fernandes, R. M., Pasupathy, A. N. & Leighton, C., Feb 1 2024, In: Physical Review B. 109, 5, 054419.

  Research output: Contribution to journal › Article › peer-review

  • Epitaxial films 100%
  • Metal insulator transition 82%
  • Spin State 74%
  • Phase transitions 68%
  • Thin films 62%

• Flexible and Extensive Platinum Ion Gel Condensers for Programmable Catalysis

  Onn, T. M., Oh, K. R., Adrahtas, D. Z., Soeherman, J. K., Hopkins, J. A., Frisbie, C. D. & Dauenhauer, P. J., Jan 9 2024, In: ACS nano. 18, 1, p. 983-995 13 p.

  Research output: Contribution to journal › Article › peer-review

  • Catalysis 100%
  • condensers 90%
  • Platinum 87%
  • catalysis 86%
  • Gels 78%
  3 Scopus citations

• High Sensitivity and Ultra-Broad-Range NH₃ Sensor Arrays by Precise Control of Step Defects on The Surface of Cl₂-Ndi Single Crystals

  Lu, B., Stolte, M., Liu, D., Zhang, X., Zhao, L., Tian, L., Frisbie, C. D., Würthner, F., Tao, X. & He, T., Apr 10 2024, In: Advanced Science. 11, 14, 2308036.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Semiconductors 100%
  • Single crystals 80%
  • Sensor arrays 78%
  • Adsorption 76%
  • Crystals 69%

• Improving Absorbent-Enhanced Ammonia Separation For Efficient Small-Scale Ammonia Synthesis

  Onuoha, C. E., Kale, M. J., Malmali, M., Dauenhauer, P. J. & McCormick, A. V., Apr 3 2024, In: Industrial and Engineering Chemistry Research. 63, 13, p. 5608-5617 10 p.

  Research output: Contribution to journal › Article › peer-review

  • Ammonia 100%
  • Sorbents 46%
  • Temperature 37%
  • Sorbent 32%
  • Desorption 21%

• Kinetics of Redox Half-Cycles on Bi₂O₃ for the Selective Catalytic Combustion of Hydrogen

  Jacob, M., Nguyen, H., Neurock, M. & Bhan, A., 2024, (Accepted/In press) In: ACS Catalysis. p. 4568-4580 13 p.

  Research output: Contribution to journal › Article › peer-review

  • Oxidation-Reduction 100%
  • Catalytic Combustion 98%
  • Hydrogen 60%
  • Oxygen 34%
  • Chemical activation 22%

• Lyotropic Phase Behavior of Coil-Bottlebrush Diblock Copolymers in Alkylimidazolium-Based Ionic Liquids

  Perales Rodriguez, C., Mahanthappa, M. K. & Lodge, T. P., Apr 9 2024, In: Macromolecules. 57, 7, p. 3081-3089 9 p.

  Research output: Contribution to journal › Article › peer-review

  • Block copolymers 100%
  • Ionic liquids 99%
  • Phase behavior 92%
  • Diblock Copolymer 74%
  • Phase Behavior 70%

• Mechanisms of Hysteresis and Reversibility across the Voltage-Driven Perovskite-Brownmillerite Transformation in Electrolyte-Gated Ultrathin La_0.5Sr_0.5CoO_3−δ

  Postiglione, W. M., Yu, G., Chaturvedi, V., Zhou, H., Heltemes, K., Jacobson, A., Greven, M. & Leighton, C., Apr 17 2024, In: ACS Applied Materials and Interfaces. 16, 15, p. 19184-19197 14 p.

  Research output: Contribution to journal › Article › peer-review

  • Perovskite 100%
  • Hysteresis 71%
  • Electrolytes 70%
  • Hysteresis loops 66%
  • Oxidation-Reduction 47%
  1 Scopus citations

• Mechanistic control of surface chlorine within propylene epoxidation

  Esposito, J. & Bhan, A., Mar 2024, In: Journal of Catalysis. 431, 115356.

  Research output: Contribution to journal › Article › peer-review

  • epoxidation 100%
  • Epoxidation 99%
  • Chlorine 70%
  • propylene 68%
  • Propylene 66%

• NO formation by N₂/O₂ plasma catalysis: The impact of surface reactions, gas-phase reactions, and mass transport

  Bayer, B. N., Bruggeman, P. J. & Bhan, A., Feb 15 2024, In: Chemical Engineering Journal. 482, 149041.

  Research output: Contribution to journal › Article › peer-review

  • Surface reactions 100%
  • gas phase reaction 94%
  • Catalysis 93%
  • catalysis 82%
  • Surface Reaction 72%
  1 Scopus citations

• Porous Melt Blown Poly(butylene terephthalate) Fibers with High Ductility and High-Temperature Structural Stability

  Goetze, J. W., Benitez, C., Bates, F. S. & Ellison, C. J., 2024, (Accepted/In press) In: ACS Macro Letters. p. 558-564 7 p.

  Research output: Contribution to journal › Article › peer-review

  • Butenes 100%
  • Ductility 95%
  • Butene 78%
  • Fibers 55%
  • Fiber 51%

• Rates and reversibility of CO₂ hydrogenation on Cu-based catalysts

  Lin, T. C. & Bhan, A., Jan 2024, In: Journal of Catalysis. 429, 115214.

  Research output: Contribution to journal › Article › peer-review

  • Hydrogenation 100%
  • hydrogenation 87%
  • methyl alcohol 81%
  • Methanol 80%
  • catalysts 73%

• Roll-to-Roll Compatible Topochemical Wetting Control for Metamaterial Printing

  Donie, Y. J., Ramamurthy, M., Chakraborty, R. D., Francis, L. F., Frisbie, C. D. & Ferry, V. E., 2024, (Accepted/In press) In: Advanced Optical Materials.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Metamaterials 100%
  • inks 93%
  • Ink 85%
  • Wetting 85%
  • printing 82%

• Selective formation of metastable polymorphs in solid-state synthesis

  Zeng, Y., Szymanski, N. J., He, T., Jun, K. J., Gallington, L. C., Huo, H., Bartel, C. J., Ouyang, B. & Ceder, G., 2024, In: Science Advances. 10, 3

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Density Functional Theory 100%
  • Thermodynamics 70%
  • Kinetics 41%
  1 Scopus citations

• Selective Synthesis of Defect-Rich LaMnO₃ by Low-Temperature Anion Cometathesis

  Tran, G. T., Wustrow, A., O’Nolan, D., Tao, S. S., Bartel, C. J., He, T., McDermott, M. J., McBride, B. C., Chapman, K. W., Billinge, S. J. L., Persson, K. A., Ceder, G. & Neilson, J. R., Feb 19 2024, In: Inorganic chemistry. 63, 7, p. 3250-3257 8 p.

  Research output: Contribution to journal › Article › peer-review

  • anions 100%
  • Halide 81%
  • synthesis 76%
  • Metathesis Reaction 71%
  • Anion 62%

• Self-assembled complex micelle phase stability in ABA-type triblock copolymers and related core-shell bottlebrushes

  Karavolias, M. G. & Mahanthappa, M. K., Jan 2024, In: Physical Review Materials. 8, 1, 015603.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Micelles 100%
  • Phase stability 95%
  • Block copolymers 91%
  • Phase Stability 80%
  • micelles 72%

• Self-Assembly of Unusually Stable Thermotropic Network Phases by Cellobiose-Based Guerbet Glycolipids

  Das, S., Zheng, C., Lodge, T. P., Siepmann, J. I., Mahanthappa, M. K., Calabrese, M. A. & Reineke, T. M., Feb 12 2024, In: Biomacromolecules. 25, 2, p. 1291-1302 12 p.

  Research output: Contribution to journal › Article › peer-review

  • Glycolipids 100%
  • Thermotropic liquid crystals 68%
  • Self assembly 65%
  • Glycolipid 57%
  • Liquid Crystal 46%

• Sequence-activity mapping via depletion reveals striking mutational tolerance and elucidates functional motifs in Tur1a antimicrobial peptide

  Collins, J. & Hackel, B. J., 2024, In: Protein Engineering, Design and Selection. 37, gzae006.

  Research output: Contribution to journal › Article › peer-review

  • 4-(4-sulfophenylazo)-2-mercuriphenol 100%
  • Arginine 93%
  • Peptides 70%
  • Polypeptide Antibiotic Agent 59%
  • Proline 57%

• Symmetry Breaking and Ascending in the Magnetic Kagome Metal FeGe

  Wu, S., Klemm, M. L., Shah, J., Ritz, E. T., Duan, C., Teng, X., Gao, B., Ye, F., Matsuda, M., Li, F., Xu, X., Yi, M., Birol, T., Dai, P. & Blumberg, G., Jan 2024, In: Physical Review X. 14, 1, 011043.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • magnetic metals 100%
  • broken symmetry 63%
  • cooling 27%
  • degrees of freedom 19%
  • crystal structure 18%

• Systematic Evaluation of Protein-Small Molecule Hybrids on the Yeast Surface

  Huang, M., Rueda-Garcia, M., Harthorn, A., Hackel, B. J. & Van Deventer, J. A., Feb 16 2024, In: ACS Chemical Biology. 19, 2, p. 325-335 11 p.

  Research output: Contribution to journal › Article › peer-review

  • Yeasts 100%
  • Acetazolamide 59%
  • Substitution Reaction 51%
  • Proteins 45%
  • Molecule 42%

• Taking the human out of decomposition-based optimization via artificial intelligence, Part II: Learning to initialize

  Mitrai, I. & Daoutidis, P., Jul 2024, In: Computers and Chemical Engineering. 186, 108686.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Problem-Based Learning 100%
  • Artificial intelligence 76%
  • Decomposition 62%
  • Process engineering 52%
  • Bender Reaction 50%
  1 Scopus citations

• Targeting and monitoring ovarian cancer invasion with an RNAi and peptide delivery system

  Hao, L., Boehnke, N., Elledge, S. K., Harzallah, N. S., Zhao, R. T., Cai, E., Feng, Y. X., Neaher, S., Fleming, H. E., Gupta, P. B., Hammond, P. T. & Bhatia, S. N., Mar 12 2024, In: Proceedings of the National Academy of Sciences of the United States of America. 121, 11, p. e2307802121

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • RNA Interference 100%
  • Ovarian Neoplasms 94%
  • Nanoparticles 92%
  • Peptides 66%
  • Peptide Hydrolases 65%

• Text Mining the Literature to Inform Experiments and Rationalize Impurity Phase Formation for BiFeO₃

  Cruse, K., Baibakova, V., Abdelsamie, M., Hong, K., Bartel, C. J., Trewartha, A., Jain, A., Sutter-Fella, C. M. & Ceder, G., Jan 23 2024, In: Chemistry of Materials. 36, 2, p. 772-785 14 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Text mining 100%
  • Mining 98%
  • Impurities 83%
  • Oxide 46%
  • Experiments 30%
  1 Scopus citations

• The Conductance Isotope Effect in Oligophenylene Imine Molecular Wires Depends on the Number and Spacing of ¹³C-Labeled Phenylene Rings

  Colin-Molina, A., Nematiaram, T., Cheung, A. M. H., Troisi, A. & Frisbie, C. D., Mar 12 2024, In: ACS nano. 18, 10, p. 7444-7454 11 p.

  Research output: Contribution to journal › Article › peer-review

  • imines 100%
  • Isotopes 86%
  • isotope effect 76%
  • Isotope Effect 71%
  • Conductance 67%

• Thin film growth of the Weyl semimetal NbAs

  Yánez-Parreño, W., Huang, Y. S., Ghosh, S., Islam, S., Gómez, J. E., Steinebronn, E., Richardella, A., Avilés-Félix, L., Butera, A., Mkhoyan, K. A. & Samarth, N., Mar 2024, In: Physical Review Materials. 8, 3, 034204.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Metalloids 100%
  • Film growth 86%
  • metalloids 61%
  • Crystalline materials 57%
  • Thin films 51%

• UV-Assisted Direct Ink Writing of Dual-Cure Polyurethanes

  Hausladen, M. M., Gorbea, G. D., Francis, L. F. & Ellison, C. J., Feb 23 2024, In: ACS Applied Polymer Materials. 6, 4, p. 2253-2265 13 p.

  Research output: Contribution to journal › Article › peer-review

  • Ink 100%
  • Polyurethanes 99%
  • Elastomer 90%
  • Acrylate 83%
  • Elastomers 74%
  1 Scopus citations
• 2023

  Alternating Gyroid Stabilized by Surfactant-like Triblock Terpolymers in IS/SO/ISO Ternary Blends

  Chen, P., Bates, F. S. & Dorfman, K. D., Mar 28 2023, In: Macromolecules. 56, 6, p. 2568-2577 10 p.

  Research output: Contribution to journal › Article › peer-review

  • Isoprene 100%
  • Terpolymers 95%
  • Field Theory 85%
  • Styrene 70%
  • Surface active agents 67%
  1 Scopus citations

• Anomalous strain relaxation and its impact on the valence-driven spin-state/metal-insulator transition in epitaxial (Pr1-y Yy)1-xCaxCo O3-δ

  Dewey, J. E., Ghosh, S., Chaturvedi, V., Postiglione, W. M., Figari, L., Jacobson, A., Korostynski, C., Charlton, T. R., Mkhoyan, K. A. & Leighton, C., Feb 2023, In: Physical Review Materials. 7, 2, 024415.

  Research output: Contribution to journal › Article › peer-review

  • Metal insulator transition 100%
  • Strain relaxation 89%
  • Metal Insulator Transition 75%
  • Spin State 59%
  • insulators 38%
  1 Scopus citations

• Approach for statistical analysis of oxide- and sulfate-induced hot corrosion of advanced alloys

  Chikhalikar, A. S., Godbole, E. P. & Poerschke, D. L., Feb 2023, In: Corrosion Science. 211, 110892.

  Research output: Contribution to journal › Article › peer-review

  • Sulfates 100%
  • Deposits 87%
  • Oxides 76%
  • Statistical methods 75%
  • Corrosion 66%
  1 Scopus citations

• Artificial Magnetic Tripod Ice

  Zhang, X., Chioar, I. A., Fitez, G., Hurben, A., Saccone, M., Bingham, N. S., Ramberger, J., Leighton, C., Nisoli, C. & Schiffer, P., Sep 22 2023, In: Physical review letters. 131, 12, 126701.

  Research output: Contribution to journal › Article › peer-review

  • tripods 100%
  • ice 65%
  • moments 48%
  • clocks 13%
  • apexes 11%

• Assessing Thermodynamic Selectivity of Solid-State Reactions for the Predictive Synthesis of Inorganic Materials

  McDermott, M. J., McBride, B. C., Regier, C. E., Tran, G. T., Chen, Y., Corrao, A. A., Gallant, M. C., Kamm, G. E., Bartel, C. J., Chapman, K. W., Khalifah, P. G., Ceder, G., Neilson, J. R. & Persson, K. A., Oct 25 2023, In: ACS Central Science. 9, 10, p. 1957-1975 19 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Solid state reactions 100%
  • Solid State Reaction 57%
  • Thermodynamics 55%
  • Impurities 31%
  • Powder X-Ray Diffraction 24%
  2 Scopus citations

• Autonomous and dynamic precursor selection for solid-state materials synthesis

  Szymanski, N. J., Nevatia, P., Bartel, C. J., Zeng, Y. & Ceder, G., Dec 2023, In: Nature communications. 14, 1, 6956.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • solid state 100%
  • synthesis 95%
  • Force 90%
  • Thermodynamics 82%
  • Datasets 35%
  7 Scopus citations

• Availability and reactivity of N₂(v) for NH₃ synthesis by plasma catalysis

  Bayer, B. N., Raskar, S., Adamovich, I. V., Bruggeman, P. J. & Bhan, A., Dec 2023, In: Plasma Sources Science and Technology. 32, 12, 125005.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • catalysis 100%
  • availability 87%
  • reactivity 86%
  • molecular relaxation 66%
  • synthesis 62%
  3 Scopus citations

• Capillary Filling in Open Rectangular Microchannels with a Spatially Varying Contact Angle

  Chang, L. H. & Kumar, S., Dec 19 2023, In: Langmuir. 39, 50, p. 18526-18536 11 p.

  Research output: Contribution to journal › Article › peer-review

  • Contact angle 100%
  • microchannels 96%
  • Capillary flow 41%
  • capillary flow 38%
  • Flow 17%
  1 Scopus citations

• CHGNet as a pretrained universal neural network potential for charge-informed atomistic modelling

  Deng, B., Zhong, P., Jun, K. J., Riebesell, J., Han, K., Bartel, C. J. & Ceder, G., Sep 2023, In: Nature Machine Intelligence. 5, 9, p. 1031-1041 11 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Hamiltonians 100%
  • Crystals 83%
  • Magnetic moments 52%
  • Neural networks 50%
  • Molecular dynamics 37%
  33 Scopus citations

• Comparative Study of FeCrAlY and Sapphire Hot Corrosion by Mixed Oxide and Sulfate Deposits

  Chikhalikar, A. S. & Poerschke, D. L., Oct 2023, In: High Temperature Corrosion of Materials. 100, 3-4, p. 321-344 24 p.

  Research output: Contribution to journal › Article › peer-review

  • Sapphire 100%
  • Sulfates 84%
  • Deposits 74%
  • Oxides 64%
  • Sulfate 56%

• Comparison of one-sided and diffusion-limited evaporation models for thin liquid droplets

  Larsson, C. & Kumar, S., Dec 6 2023, In: Journal of Fluid Mechanics. 976, A25.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Evaporation 100%
  • Droplet 92%
  • Liquid 67%
  • evaporation 53%
  • Liquids 46%