S. Hessam M. Mehr
Investigating information and automation as gateways to new discovery paradigms in chemistry.
Writing and projects
- Mehr Research blog My group’s blog, featuring posts by current and past members
- 0101chem companion website to my Digital chemistry for digital natives outreach project, funded by the Royal Society of Chemistry
- Sound Chemistry Royal Society of Edinburgh workshop that I organised in March 2024 with a focus on novel modalities for chemical containers, e.g. acoustic confinement
- Personal blog Personal takes and hobby project covering chemistry, programming and electronics
Recorded talks
Code
For an up-to-date list check out my personal projects and my research group’s projects on Github.
- microbit_sensornet Browser dashboard and accompanying MakeCode sketch for aggregating sensor readings from a swarm of micro:bits over Web Bluetooth
- RecursiveMA Algorithm for inferring the complexity of a given molecule from tandem mass spectrometry (MS2, MS3, …) data
- Delphi A standard interface for storing, sampling/fitting, and comparing probabilistic models for interpreting scientific experiments
- XDL A hardware-independent chemical programming language (see publication)
- Logic.jl Early sketch of a typed logic programming system embedded in Julia
- liquid_rules (Prolog) and liquid_rules_ddlog (Differential Datalog) Proof-of-concept declarative scheduler for robotic liquid handling
- coalescence Demonstration of peak coalescence in NMR live demo (TypeScript)
- molsketch-cljs Cross-platfrom 2D molecular structure drawing program (ClojureScript)
- NMR.jl Processing, visualization and analysis of NMR spectra (Julia)
- pyMPB Python interface to MIT Photonic Bands (MPB)
- SolidStateNMR.jl Simulation of solid-state NMR spectra from calculated shielding matrix
- vim-gaussian Gaussian syntax highlighting for vim
- XRD.jl Utility functions for X-ray diffraction (Julia)
Opportunities
I am always keen to welcome motivated individuals from a range of technical backgrounds into the group. Please refer to the my group’s website for a list of current opportunities.
Selected publications
For more context on current research projects and related publications see my group’s research page. For a full list see Google Scholar, and ORCiD.
2024
- Micron-sized soft chemical reactors synthesized via the aerosol phase
Zhang, L.; Mehr, S. H. M., accepted for publication in RSC Digital Discovery, 2024
- Investigating and Quantifying Molecular Complexity Using Assembly Theory and Spectroscopy
Jirasek, M; Sharma, A; Bame, J. R.; Mehr, S. H. M.; et al ACS Cent. Sci., 2024, 10, 1054
- Evidence of Selection in Mineral Mediated Polymerization Reactions Executed in a Robotic Chemputer System
Asche, S.; Pow, R.; Mehr, H. M.; Cooper, G.; Sharma, A.; Cronin, L., ChemSystemsChem, 2024, 3, e202400006
- An integrated self-optimizing programmable chemical synthesis and reaction engine
Leonov, A. I.; Hammer, A. J. S.; Lach, S.; Mehr, S. H. M.; et al Nat. Comm., 2024, 15, 1240
2023
- Detection of Micron-Sized Chemical Droplets Using a Commodity Digital Camera Setup
Jiang, H.; Mehr, S. H. M. ChemRxiv, 2023
- Digitizing chemical discovery with a Bayesian explorer for interpreting reactivity data
Mehr, S. H. M.; Caramelli, D., Cronin, L. PNAS, 2023, 120
- Automated Qualitative and Quantitative Analysis of Complex Forensic Drug Samples using 1H NMR
Mehr, S. H. M.; Tang, A. W.; Laing, R. R. Magn. Reson. Chem., 2023, 61, 95–105
2018–2022 (post-doc)
- Digitization and validation of a chemical synthesis literature database in the ChemPU
Rohrbach, S.; Šiaučiulis, M.; Chisholm, G.; Pirvan, P.-A.; Saleeb, M.; Mehr, S. H. M.; Trushina, E.; et al. Science, 2022, 377, 172–180
- Discovering New Chemistry with an Autonomous Robotic Platform Driven by a Reactivity-Seeking Neural Network
Caramelli, D.; Granda, J.; Mehr, S. H. M.; Cambié, D.; Henson, A.; Cronin, L. ACS Cent. Sci., 2021, 7, 1821–1830
- Digitizing Chemistry Using the Chemical Processing Unit: From Synthesis to Discovery
Wilbraham, L; Mehr, S. H. M.; Cronin, L. Acc. Chem. Res., 2021, 54, 253–262
- A universal system for digitization and automatic execution of the chemical synthesis literature
Mehr, S. H. M.; Craven, M.; Leonov, A. I.; Keenan, G.; Cronin, L. Science, 2020, 370, 101–108
- Intuition-Enabled Machine Learning Beats the Competition When Joint Human-Robot Teams Perform Inorganic Chemical Experiments
Duros, V.; Grizou, J.; Sharma, A.; Mehr, S. H. M.; Bubliauskas, A.; Frei, P.; Miras, H. N.; Cronin, L. J. Chem. Inf. Model. 2019, 59, 2664–2671
- Catalyst: The Metaphysics of Chemical Reactivity
Cronin, L.; Mehr, S. H. M.; Granda, J. M. Chem 2018, 4, 1759–1761
2011–2017 (PhD)
- Tuning the tautomeric behavior of tris(salicylaldimines)
Mehr, S. H. M.; Oshima, H.; Carta, V.; Patrick, B. O.; White, N. G.; MacLachlan, M. J. Org. Biomol. Chem. 2017, 15, 8418–8424
- Formylation of phenols using formamidine acetate
Mehr, S. H. M.; Depmeier, H.; Fukuyama, K.; Maghami, M.; MacLachlan, M. J. Org. Biomol. Chem. 2017, 15, 581–583
- Stabilization of a Strained Heteroradialene by Peripheral Electron Delocalization
Mehr, S. H. M.; Patrick, B. O.; MacLachlan, M. J. Org. Lett. 2016, 18, 1840–1843
- Deuteration of Aromatic Rings under Very Mild Conditions through Keto-Enamine Tautomeric Amplification
Mehr, S. H. M.; Fukuyama, K.; Bishop, S.; Lelj, F.; MacLachlan, M. J. J. Org. Chem. 2015, 80, 5144–5150
- Novel PPV/Mesoporous Organosilica Composites: Influence of the Host Chirality on a Conjugated Polymer Guest
Mehr, S. H. M.; Giese, M.; Qi, H.; Shopsowitz, K. E.; Hamad, W. Y.; MacLachlan, M. J. Langmuir 2013, 29, 12579–12584
- Role of Entropy and Autosolvation in Dimerization and Complexation of C60 by Zn7 Metallocavitands
Frischmann, P. D.; Mehr, S. H. M.; Patrick, B. O.; Lelj, F.; MacLachlan, M. J. Inorg. Chem. 2012, 51, 3443–3453