| Group contribution and machine learning approaches to predict Abraham solute parameters, solvation free energy, and solvation enthalpy Y Chung, FH Vermeire, H Wu, PJ Walker, MH Abraham, WH Green Journal of Chemical Information and Modeling 62 (3), 433-446, 2022 | 81 | 2022 |
| Clapeyron.jl: An extensible, open-source fluid-thermodynamics toolkit PJ Walker*, HW Yew*, A Riedemann* Industrial & Engineering Chemistry Research 61 (20), 7130–7153, 2022 | 30 | 2022 |
| Importance of the relative static permittivity in electrolyte SAFT-VR Mie equations of state PJ Walker, X Liang, GM Kontogeorgis Fluid Phase Equilibria 551, 113256, 2022 | 23 | 2022 |
| Introducing students to research codes: A short course on solving partial differential equations in Python P Inguva, VJ Bhute, TNH Cheng, PJ Walker Education for Chemical Engineers 36, 1-11, 2021 | 19 | 2021 |
| Continuum-scale modelling of polymer blends using the Cahn–Hilliard equation: transport and thermodynamics PK Inguva*, PJ Walker*, HW Yew, K Zhu, AJ Haslam, OK Matar Soft Matter 17 (23), 5645-5665, 2021 | 15 | 2021 |
| A new predictive group-contribution ideal-heat-capacity model and its influence on second-derivative properties calculated using a free-energy equation of state PJ Walker, AJ Haslam Journal of Chemical & Engineering Data 65 (12), 5809-5829, 2020 | 12 | 2020 |
| Ab initio development of generalized Lennard-Jones (Mie) force fields for predictions of thermodynamic properties in advanced molecular-based SAFT equations of state PJ Walker*, T Zhao*, AJ Haslam, G Jackson The Journal of Chemical Physics 156 (15), 2022 | 7 | 2022 |
| Toward Advanced, Predictive Mixing Rules in SAFT Equations of State PJ Walker Industrial & Engineering Chemistry Research 61 (49), 18165-18175, 2022 | 4 | 2022 |
| Competition between CO2-philicity and Mixing Entropy Leads to CO2 Solubility Maximum in Polyether Polyols AS Ylitalo, H Chao, PJ Walker, J Crosthwaite, TC Fitzgibbons, ... Industrial & Engineering Chemistry Research 61 (34), 12835-12844, 2022 | 3 | 2022 |
| Molecular Control via Dynamic Bonding Enables Material Responsiveness in Additively Manufactured Metallo-Polyelectrolytes S Lee*, P Walker*, S Velling, A Chen, Z Taylor, C Fiori, V Gandhi, ... | 2 | 2024 |
| Facilitating Independent Learning: Student Perspectives on the Value of Student-Led Maker Spaces in Engineering Education N Kalogeropoulos, P Walker, C Hale, K Hellgardt, A Macey, U Shah, ... INTERNATIONAL JOURNAL OF ENGINEERING EDUCATION 36 (4), 1220-1233, 2020 | 2 | 2020 |
| GCIdentifier. jl: A Julia package for identifying molecular fragments from SMILES PJ Walker, A Riedemann, ZG Wang Journal of Open Source Software 9 (96), 6453, 2024 | | 2024 |
| Confronting the thermodynamics knowledge gap: A short course on computational thermodynamics in Julia LT Paoli, PK Inguva, AJ Haslam, PJ Walker Education for Chemical Engineers, 2024 | | 2024 |
| Computer-Aided Molecular Design of Heat-Resistant Surfactants Using Classical Density Functional Theory P Walker, S Mantha, Y Basdogan, ZG Wang 2023 AIChE Annual Meeting, 2023 | | 2023 |
| A Short Course Introducing Students to Computational Thermodynamics L Paoli, P Walker, P Inguva, P Yew, AJ Haslam 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Confidence-Interval and Uncertainty-Propagation Analysis of SAFT-type Equations of State PJ Walker, S Mueller, I Smirnova Journal of Chemical & Engineering Data, 2023 | | 2023 |
| A novel approach to characterize the relationship between dissociation and conductivity in ionic liquid and solvent mixtures P Walker, ZG Wang APS March Meeting Abstracts 2023, A03. 011, 2023 | | 2023 |
| Competition between CO₂-philicity and Mixing Entropy Leads to CO₂ Solubility Maximum in Polyether Polyols AS Ylitalo, H Chao, PJ Walker, J Crosthwaite, TC Fitzgibbons, ... | | 2022 |
| Introducing Students to Open-Source Partial Differential Equation Solver Codes in Python P Inguva, V Bhute, P Walker, TNH Cheng 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Modeling polymer blend demixing: complications and simplifications in the Gibbs energy of mixing function P Walker, P Inguva, K Zhu, HW Yew, A Haslam, O Matar APS Division of Fluid Dynamics Meeting Abstracts, X06. 003, 2020 | | 2020 |
Pavan K InguvaMassachusetts Institute of TechnologyVerified email at mit.edu
