Martin Rahm

Docent vid Kemi och biokemi

Martin Rahm är intresserad av att kvantmekanisk bestämma egenskaper och syntesvägar till nya typer av komplexa material. För detta ändamål utvecklar hans grupp metoder som kan öka vår förståelse av kemisk bindning, reaktivitet, kemi under höga tryck och elektronisk struktur i kristallina system. Martin Rahm arbetar även med tvärvetenskapliga frågor relaterade till livets ursprung. Där ligger fokus på att förstå kemisk evolution av olika organiska polymerer i vårt solsystem. Hans forskningsgrupp är affilierad med Wallenberg Centre for Quantum Technology (WACQT) och utvecklar algoritmer för kvandatorberäkning av kemi på Chalmersbyggda kvantprocessorer. 

Källa: chalmers.se
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Visar 79 publikationer

2024

Quantifying Atomic Volume, Partial Charge, and Electronegativity in Condensed Phases

Stefano Racioppi, Per Hyldgaard, Martin Rahm
Journal of Physical Chemistry C. Vol. 128 (9), p. 4009-4017
Artikel i vetenskaplig tidskrift
2024

Lowering of the singlet-triplet energy gap via intramolecular exciton-exciton coupling

Clara Schäfer, Rasmus Ringström, Jörg Hanrieder et al
Nature Communications. Vol. 15 (1)
Artikel i vetenskaplig tidskrift
2024

Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method

Werner Barucha-Dobrautz, Igor O. Sokolov, Ke Liao et al
Journal of Chemical Theory and Computation. Vol. 20 (10), p. 4146-4160
Artikel i vetenskaplig tidskrift
2024

A Thermodynamic Landscape of Hydrogen Cyanide-Derived Molecules and Polymers

Hilda Sandström, Fernando Izquierdo Ruiz, Marco Cappelletti et al
ACS Earth and Space Chemistry. Vol. 8 (6), p. 1272-1280
Artikel i vetenskaplig tidskrift
2024

Towards efficient quantum computing for quantum chemistry: reducing circuit complexity with transcorrelated and adaptive ansatz techniques

Erika Magnusson, Aaron Fitzpatrick, Stefan Knecht et al
Faraday Discussions. Vol. 254, p. 402-428
Artikel i vetenskaplig tidskrift
2023

Reference-State Error Mitigation: A Strategy for High Accuracy Quantum Computation of Chemistry

Phalgun Lolur, Mårten Skogh, Werner Barucha-Dobrautz et al
Journal of Chemical Theory and Computation. Vol. 19 (3), p. 783-789
Artikel i vetenskaplig tidskrift
2023

The electron density: a fidelity witness for quantum computation

Mårten Skogh, Werner Barucha-Dobrautz, Phalgun Lolur et al
Chemical Science. Vol. 15 (6), p. 2257-2265
Artikel i vetenskaplig tidskrift
2023

Electronegativity at the Shock Front

Martin Rahm
Propellants, Explosives, Pyrotechnics. Vol. 48 (1)
Artikel i vetenskaplig tidskrift
2023

Crossroads at the Origin of Prebiotic Chemical Complexity: Hydrogen Cyanide Product Diversification

Hilda Sandström, Martin Rahm
Journal of Physical Chemistry A. Vol. 127 (20), p. 4503-4510
Artikel i vetenskaplig tidskrift
2023

A Density Functional Theory for the Average Electron Energy

Stefano Racioppi, Phalgun Lolur, Per Hyldgaard et al
Journal of Chemical Theory and Computation. Vol. 19 (3), p. 799-807
Artikel i vetenskaplig tidskrift
2023

A self-standing three-dimensional covalent organic framework film

Yizhou Yang, Yanyan Chen, Fernando Izquierdo Ruiz et al
Nature Communications. Vol. 14 (1)
Artikel i vetenskaplig tidskrift
2023

Accelerating variational quantum eigensolver convergence using parameter transfer

Mårten Skogh, Oskar Leinonen, Phalgun Lolur et al
Electronic Structure. Vol. 5 (3)
Artikel i vetenskaplig tidskrift
2023

Experimental quantum chemistry and chemical reactivity (Chapter 17)

Martin Rahm
Chemical Reactivity, Volume 1 : Theories and Principles. Vol. 1, p. 483-503
Kapitel i bok
2022

Electronegativity Equilibration

Francesco Sessa, Martin Rahm
Journal of Physical Chemistry A. Vol. 126 (32), p. 5472-5482
Artikel i vetenskaplig tidskrift
2021

The Beginning of HCN Polymerization: Iminoacetonitrile Formation and Its Implications in Astrochemical Environments

Hilda Sandström, Martin Rahm
ACS Earth and Space Chemistry. Vol. 5 (8), p. 2152-2159
Artikel i vetenskaplig tidskrift
2021

Experimental Quantum Chemistry: A Hammett-inspired Fingerprinting of Substituent Effects

Francesco Sessa, Martina Olsson, Fredrik Söderberg et al
ChemPhysChem. Vol. 22 (6), p. 569-576
Artikel i vetenskaplig tidskrift
2021

Palladium-catalyzed stereoselective domino arylation-acylation: an entry to chiral tetrahydrofluorenone scaffolds

Petter Dunås, Andrew Paterson, Gabriele Kociok-Kohn et al
Chemical Communications. Vol. 57 (53), p. 6518-6521
Artikel i vetenskaplig tidskrift
2021

In-Situ Electronegativity and the Bridging of Chemical Bonding Concepts

Stefano Racioppi, Martin Rahm
Chemistry - A European Journal. Vol. 27 (72), p. 18156-18167
Artikel i vetenskaplig tidskrift
2021

Relating atomic energy, radius and electronegativity through compression

Martin Rahm, Paul Erhart, Roberto Cammi
Chemical Science. Vol. 12 (7), p. 2397-2403
Artikel i vetenskaplig tidskrift
2021

A Highly Conductive All-Carbon Linked 3D Covalent Organic Framework Film

Yizhou Yang, Suman Mallick, Fernando Izquierdo Ruiz et al
Small. Vol. 17 (40)
Artikel i vetenskaplig tidskrift
2021

Benchmarking the variational quantum eigensolver through simulation of the ground state energy of prebiotic molecules on high-performance computers

Phalgun Lolur, Martin Rahm, Mårten Skogh et al
AIP Conference Proceedings. Vol. 2362
Paper i proceeding
2020

Non-Bonded Radii of the Atoms Under Compression

Martin Rahm, Mattias Ångqvist, Magnus Rahm et al
ChemPhysChem. Vol. 21 (21), p. 2441-2453
Artikel i vetenskaplig tidskrift
2020

DBU-Catalyzed Ring-Opening and Retro-Claisen Fragmentation of Dihydropyranones

Anton Axelsson, Emmelie Hammarvid, Martin Rahm et al
European Journal of Organic Chemistry. Vol. 2020 (33), p. 5436-5444
Artikel i vetenskaplig tidskrift
2020

Exploring the Limits of Transition-Metal Fluorination at High Pressures

Jianyan Lin, Xin Du, Martin Rahm et al
Angewandte Chemie - International Edition. Vol. 59 (23), p. 9155-9162
Artikel i vetenskaplig tidskrift
2020

Varying Electronic Configurations in Compressed Atoms: From the Role of the Spatial Extension of Atomic Orbitals to the Change of Electronic Configuration as an Isobaric Transformation

Roberto Cammi, Martin Rahm, Roald Hoffmann et al
Journal of Chemical Theory and Computation. Vol. 16 (8), p. 5047-5056
Artikel i vetenskaplig tidskrift
2020

Can polarity-inverted membranes self-assemble on Titan?

Hilda Sandström, Martin Rahm
Science advances. Vol. 6 (4)
Artikel i vetenskaplig tidskrift
2020

Palladium Catalyzed Stereoselective Arylation of Biocatalytically Derived Cyclic 1,3-Dienes: Chirality Transfer via a Heck-Type Mechanism

Andrew Paterson, Petter Dunås, Martin Rahm et al
Organic Letters. Vol. 22 (6), p. 2464-2469
Artikel i vetenskaplig tidskrift
2019

A hypervalent and cubically coordinated molecular phase of IF8 predicted at high pressure

Dongbao Luo, Jian Lv, Feng Peng et al
Chemical Science. Vol. 10 (8), p. 2543-2550
Artikel i vetenskaplig tidskrift
2019

Nine questions on energy decomposition analysis

Juan Andres, Paul W. Ayers, Roberto A. Boto et al
Journal of Computational Chemistry. Vol. 40 (26), p. 2248-2283
Artikel i vetenskaplig tidskrift
2019

Squeezing All Elements in the Periodic Table: Electron Configuration and Electronegativity of the Atoms under Compression

Martin Rahm, Roberto Cammi, N. W. Ashcroft et al
Journal of the American Chemical Society. Vol. 141 (26), p. 10253-10271
Artikel i vetenskaplig tidskrift
2019

Electronegativity Seen as the Ground-State Average Valence Electron Binding Energy

Martin Rahm, Tao Zeng, Roald Hoffmann
Journal of the American Chemical Society. Vol. 141 (1), p. 342-351
Artikel i vetenskaplig tidskrift
2019

ELECTRON CONFIGURATION AND ELECTRONEGATIVITY OF THE ATOMS UNDER COMPRESSION

Martin Rahm, Roberto Cammi, N. W. Ashcroft et al
Övrigt konferensbidrag
2018

Difluoromethyl group, a hydrogen bond donor

Fang Wang, Chanan Sessler, Martin Rahm et al
Övrigt konferensbidrag
2018

Generalized collision operator for fast electrons interacting with partially ionized impurities

Linnea Hesslow, Ola Embréus, Mathias Hoppe et al
Journal of Plasma Physics. Vol. 84 (6)
Artikel i vetenskaplig tidskrift
2018

Electron configuration and electronegativity of the atoms under compression

Martin Rahm, Roberto Cammi, Neil Ashcroft et al
Övrigt konferensbidrag
2018

Trifluoromethyl anion (CF3-): What we do and do not know

Fang Wang, Zhe Zhang, Ralf Haiges et al
Övrigt konferensbidrag
2018

Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme-Pressure Polarizable Continuum Model

Roberto Cammi, Bo Chen, Martin Rahm
Journal of Computational Chemistry. Vol. 39 (26), p. 2243-2250
Artikel i vetenskaplig tidskrift
2017

Dinitramidoborates, a Fascinating Case of Competing Oxygen and Nitrogen Donors and Tautomerism

Guillaume Belanger-Chabot, Martin Rahm, Ralf Haiges et al
Angewandte Chemie. Vol. 56 (36), p. 10881-10885
Artikel i vetenskaplig tidskrift
2017

Protonation of Nitramines: Where does the Proton go

Thomas Saal, Martin Rahm, Karl O. Christe et al
Angewandte Chemie. Vol. 56 (32), p. 9587-9591
Artikel i vetenskaplig tidskrift
2017

CF2H, a Hydrogen Bond Donor

Chanan D. Sessler, Martin Rahm, Sabine Becker et al
Journal of the American Chemical Society. Vol. 139 (27), p. 9325-9332
Artikel i vetenskaplig tidskrift
2017

Ternary Gold Hydrides: Routes to Stable and Potentially Superconducting Compounds

Martin Rahm, Roald Hoffmann, N. W. Ashcroft
Journal of the American Chemical Society. Vol. 139 (25), p. 8740-8751
Artikel i vetenskaplig tidskrift
2017

Misconceptions on fluoronium ions and hypervalent fluorine cations

Karl O. Christe, Ralf Haiges, Martin Rahm et al
Journal of Fluorine Chemistry. Vol. 204 (Supplement C), p. 6-10
Artikel i vetenskaplig tidskrift
2017

Cesium's off-the-map valence orbital

Maarten Goesten, Martin Rahm, Matthias Bickelhaupt et al
Angewandte Chemie
Artikel i vetenskaplig tidskrift
2016

Polymorphism and electronic structure of polyimine and its potential significance for prebiotic chemistry on Titan

Martin Rahm, J I Lunine, David Usher et al
Proceedings of the National Academy of Sciences of the United States of America. Vol. 113, p. 8121-8126
Artikel i vetenskaplig tidskrift
2016

Atomic and Ionic Radii of Elements 1-96

Martin Rahm, Roald Hoffmann, N. W. Ashcroft
Chemistry - A European Journal. Vol. 22, p. 14625-14632
Artikel i vetenskaplig tidskrift
2016

A co-crystal between benzene and ethane: a potential evaporate material for Saturn’s moon Titan

Helen E. Maynard-Casely, Robert, Hodyss, Morgan, L. Cable et al
IUCrJ. Vol. 3, p. doi:10.1107/ S2052252516002815-
Artikel i vetenskaplig tidskrift
2016

Distinguishing Bonds

Martin Rahm, Roald Hoffmann
Journal of the American Chemical Society. Vol. 138 (11), p. 3731-3744
Artikel i vetenskaplig tidskrift
2016

The Nucleophilicity of Persistent α-Monofluoromethide Anions.

Zhe Zhang, Angel Puente, F. Wang et al
Angewandte Chemie - International Edition. Vol. 55, p. 12845-12849
Artikel i vetenskaplig tidskrift
2015

Syntheses of Diphenylaminodiazidophosphane and Diphenylaminofluoroazidophosphane

W Wilson, A. J. Clough, R Haiges et al
Inorganic Chemistry. Vol. 54, p. 11859-11867
Artikel i vetenskaplig tidskrift
2015

Toward an Experimental Quantum Chemistry: Exploring a New Energy Partitioning

Martin Rahm, Roald Hoffmann
Journal of the American Chemical Society. Vol. 137, p. 10282-10291
Artikel i vetenskaplig tidskrift
2015

Ammonia-(Dinitramido)boranes: High-Energy-Density Materials.

Guillaume Belanger-Chabot, Martin Rahm, Ralf Haiges et al
Angewandte Chemie - International Edition. Vol. 54, p. 11730-11734
Artikel i vetenskaplig tidskrift
2015

A Chemically Meaningful Measure of Electron Localization.

Martin Rahm
Journal of Chemical Theory and Computation. Vol. 11, p. 3617-3628
Artikel i vetenskaplig tidskrift
2014

The Trifluoromethyl Group as a Conformational Stabilizer and Probe: Conformational Analysis of Cinchona Alkaloid Scaffolds.

G. K. Surya Prakash, F. Wang, Martin Rahm et al
Journal of the American Chemical Society. Vol. 136 (29), p. 10418-10431
Artikel i vetenskaplig tidskrift
2014

Synthesis and Characterization of Fluorodinitroamine, FN(NO2)2.

Karl O. Christe, William W. Wilson, Guillaume Belanger-Chabot et al
Angewandte Chemie - International Edition. Vol. 54, p. 1316-1320
Artikel i vetenskaplig tidskrift
2014

Regioselective Acetylation of Diols and Polyols by Acetate Catalysis: Mechanism and Application.

Bo Ren, Martin Rahm, Xiaoling Zhang et al
Journal of Organic Chemistry. Vol. 79 (17), p. 8134-8142
Artikel i vetenskaplig tidskrift
2014

Long-Lived Trifluoromethanide Anion: A Key Intermediate in Nucleophilic Trifluoromethylations.

G. K. Surya Prakash, F. Wang, Zhe Zhang et al
Angewandte Chemie - International Edition. Vol. 53 (43), p. 11575-11578
Artikel i vetenskaplig tidskrift
2014

Nitryl Cyanide, NCNO2.

Martin Rahm, Guillaume Belanger-Chabot, Ralf Haiges et al
Angewandte Chemie - International Edition. Vol. 53 (27), p. 6893-6897
Artikel i vetenskaplig tidskrift
2013

Control of the ambident reactivity of the nitrite ion.

Hai Dong, Martin Rahm, Niranjan Thota et al
Organic and Biomolecular Chemistry. Vol. 11 (4), p. 648-653
Artikel i vetenskaplig tidskrift
2013

H-Bonding Activation in Highly Regioselective Acetylation of Diols.

Yixuan Zhou, Martin Rahm, Bin Wu et al
Journal of Organic Chemistry. Vol. 78 (22), p. 11618-11622
Artikel i vetenskaplig tidskrift
2013

[BH3C(NO2)3]-: The First Room-Temperature Stable (Trinitromethyl)borate.

Guillaume Belanger-Chabot, Martin Rahm, Ralf Haiges et al
Angewandte Chemie - International Edition. Vol. 52 (42), p. 11002-11006
Artikel i vetenskaplig tidskrift
2013

Quantifying the Nature of Lone Pair Domains.

Martin Rahm, K. O. Christe
ChemPhysChem. Vol. 14, p. 3714-3725
Artikel i vetenskaplig tidskrift
2012

Rocket Scientist for a Day: Investigating Alternatives for Chemical Propulsion

Marcus Angelin, Martin Rahm, Erik Gabrielsson et al
Journal of Chemical Education. Vol. 89 (10), p. 1301-1304
Artikel i vetenskaplig tidskrift
2011

Design of an ammonium dinitramide compatible polymer matrix.

Martin Rahm, Eva Malmström, Carina. Eldsäter
Journal of Applied Polymer Science. Vol. 122 (1), p. 1-11
Artikel i vetenskaplig tidskrift
2011

On the Nature of C-H⋅⋅⋅F-C Interactions in Hindered CF3-C(sp3) Bond Rotations

G. K. Surya Prakash, F. Wang, Martin Rahm et al
Angewandte Chemie - International Edition. Vol. 50 (49), p. 11761-11764, S11761/1-S11761/93-
Artikel i vetenskaplig tidskrift
2011

Experimental Detection of Trinitramide, N(NO2)3.

Martin Rahm, SV Dvinskikh, I Furo et al
Angewandte Chemie - International Edition. Vol. 50 (5), p. 1145-1148
Artikel i vetenskaplig tidskrift
2011

The Molecular Surface Structure of Ammonium and Potassium Dinitramide: A Vibrational Sum Frequency Spectroscopy and Quantum Chemical Study.

Martin Rahm, Eric Tyrode, Tore Brinck et al
Journal of Physical Chemistry C. Vol. 115 (21), p. 10588-10596
Artikel i vetenskaplig tidskrift
2010

On the Anomalous Decomposition and Reactivity of Ammonium and Potassium Dinitramide.

Martin Rahm, Tore. Brinck
Journal of Physical Chemistry A. Vol. 114 (8), p. 2845-2854
Artikel i vetenskaplig tidskrift
2010

Kinetic Stability and Propellant Performance of Green Energetic Materials

Martin Rahm, Tore Brinck
Chemistry - A European Journal. Vol. 16, p. 6590-6600
Artikel i vetenskaplig tidskrift
2010

Diastereoselective One-Pot Tandem Synthesis of 3-Substituted Isoindolinones: A Mechanistic Investigation.

Marcus Angelin, Martin Rahm, Andreas Fischer et al
Journal of Organic Chemistry. Vol. 75 (17), p. 5882-5887
Artikel i vetenskaplig tidskrift
2009

The anomalous solid state decomposition of ammonium dinitramide: a matter of surface polarization

Martin Rahm, T Brinck
Chemical Communications. Vol. 20, p. 2896-2898
Artikel i vetenskaplig tidskrift
2009

Tri-block copolymers of polyethylene glycol and hyperbranched poly-3-ethyl-3-(hydroxymethyl)oxetane through cationic ring opening polymerization.

Martin Rahm, Robert Westlund, Carina Eldsäter et al
Journal of Polymer Science, Part A: Polymer Chemistry. Vol. 47 (22), p. 6191-6200
Artikel i vetenskaplig tidskrift
2008

Dinitraminic acid (HDN) isomerization and self-decomposition revisited

Martin Rahm, T Brinck
Chemical Physics. Vol. 348 (1-3), p. 53-60
Artikel i vetenskaplig tidskrift
2008

Phosphine-catalyzed disulfide metathesis.

Remi Caraballo, Martin Rahm, Pornrapee Vongvilai et al
Chemical Communications (48), p. 6603-6605
Artikel i vetenskaplig tidskrift
2008

Supramolecular Control in Carbohydrate Epimerization: Discovery of a New Anion Host-Guest System.

Hai Dong, Martin Rahm, Tore Brinck et al
Journal of the American Chemical Society. Vol. 130 (46), p. 15270-15271
Artikel i vetenskaplig tidskrift
2008

Novel 1,3-dipolar cycloadditions of dinitraminic acid: Implications for the chemical stability of ammonium dinitramide

Martin Rahm, T Brinck
Journal of Physical Chemistry A. Vol. 112 (11), p. 2456-2463
Artikel i vetenskaplig tidskrift

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Visar 1 forskningsprojekt

2017–2020

Nya material med relevans för livets ursprung och planetforskning

Martin Rahm Fysikalisk kemi
Vetenskapsrådet (VR)

4 publikationer finns
Det kan finnas fler projekt där Martin Rahm medverkar, men du måste vara inloggad som anställd på Chalmers för att kunna se dem.