| Machine-Learning-Augmented Chemisorption Model for CO2 Electroreduction Catalyst Screening X Ma, Z Li, LEK Achenie, H Xin The journal of physical chemistry letters 6 (18), 3528-3533, 2015 | 416 | 2015 |
| High-throughput screening of bimetallic catalysts enabled by machine learning Z Li, S Wang, WS Chin, LE Achenie, H Xin Journal of Materials Chemistry A 5 (46), 24131-24138, 2017 | 309 | 2017 |
| A new decomposition-based computer-aided molecular/mixture design methodology for the design of optimal solvents and solvent mixtures AT Karunanithi, LEK Achenie, R Gani Industrial & engineering chemistry research 44 (13), 4785-4797, 2005 | 219 | 2005 |
| Expression profile of osteoblast lineage at defined stages of differentiation I Kalajzic, A Staal, WP Yang, Y Wu, SE Johnson, JHM Feyen, W Krueger, ... Journal of Biological Chemistry 280 (26), 24618-24626, 2005 | 216 | 2005 |
| Computer aided molecular design: theory and practice L Achenie, V Venkatasubramanian, R Gani Elsevier, 2002 | 211 | 2002 |
| A computer-aided molecular design framework for crystallization solvent design AT Karunanithi, LEK Achenie, R Gani Chemical Engineering Science 61 (4), 1247-1260, 2006 | 184 | 2006 |
| Novel mathematical programming model for computer aided molecular design N Churi, LEK Achenie Industrial & engineering chemistry research 35 (10), 3788-3794, 1996 | 180 | 1996 |
| Designing environmentally safe refrigerants using mathematical programming AP Duvedi, LEK Achenie Chemical Engineering Science 51 (15), 3727-3739, 1996 | 180 | 1996 |
| A superstructure based approach to chemical reactor network synthesis LKE Achenie, LT Biegler Computers & chemical engineering 14 (1), 23-40, 1990 | 154 | 1990 |
| Algorithmic synthesis of chemical reactor networks using mathematical programming LEK Achenie, LT Biegler Industrial & engineering chemistry fundamentals 25 (4), 621-627, 1986 | 124 | 1986 |
| A hybrid neural network model for PEM fuel cells S Ou, LEK Achenie Journal of Power Sources 140 (2), 319-330, 2005 | 113 | 2005 |
| An adaptive machine learning strategy for accelerating discovery of perovskite electrocatalysts Z Li, LEK Achenie, H Xin ACS Catalysis 10 (7), 4377-4384, 2020 | 97 | 2020 |
| Environmentally benign solvent design by global optimization M Sinha, LEK Achenie, GM Ostrovsky Computers & Chemical Engineering 23 (10), 1381-1394, 1999 | 95 | 1999 |
| Computer aided solvent design for extractive fermentation Y Wang, LEK Achenie Fluid Phase Equilibria 201 (1), 1-18, 2002 | 94 | 2002 |
| A theoretical study of solvent effects on Kolbe–Schmitt reaction kinetics I Stanescu, LEK Achenie Chemical Engineering Science 61 (18), 6199-6212, 2006 | 82 | 2006 |
| On the design of environmentally benign refrigerant mixtures: a mathematical programming approach A Duvedi, LEK Achenie Computers & chemical engineering 21 (8), 915-923, 1997 | 82 | 1997 |
| Infusing theory into deep learning for interpretable reactivity prediction SH Wang, HS Pillai, S Wang, LEK Achenie, H Xin Nature communications 12 (1), 5288, 2021 | 78 | 2021 |
| Genetic signatures of high-and low-risk aberrant crypt foci in a mouse model of sporadic colon cancer PR Nambiar, M Nakanishi, R Gupta, E Cheung, A Firouzi, XJ Ma, C Flynn, ... Cancer research 64 (18), 6394-6401, 2004 | 78 | 2004 |
| Robust H∞ control for linear discrete-time systems with norm-bounded time-varying uncertainty L Yuan, LEK Achenie, W Jiang Systems & control letters 27 (4), 199-208, 1996 | 78 | 1996 |
| The optimal design of refrigerant mixtures for a two-evaporator refrigeration system N Churi, LEK Achenie Computers & chemical engineering 21, S349-S354, 1997 | 69 | 1997 |
