Department of Chemistry and Materials Science

Soft Materials Modelling

The Soft Materials Modelling Group of Maria Sammalkorpi employs computational and theoretical means to study macromolecular and surfactant systems in bulk solutions and at interfaces. We work on polymer and protein materials, as well as, colloidal systems. We love understanding soft materials at molecular level, work in tight collaboration with experimentalists and do our molecular modelling at atomistic to mesoscale.

Maria is a principal investigator in the Academy of Finland Center of Excellence in Life Inspired Hybrid Materials 2022-2029 and has also been acknowledged with the Novo Nordisk Ascending Investigator 2022 award in biotechnology related to biosynthetic materials.
Soft Materials Modelling group Aalto University

Our research topics and methodology:

  1. Computational and theoretical research of macromolecular and surfactant systems
  2. Modelling of polymer and protein materials, as well as, colloidal systems
  3. Atomistic to mesoscale modelling of soft matter

Research projects in Soft Materials Modelling group

We work mainly on biotechnology, polymer materials, and adaptive soft matter systems. Our research focuses on macromolecular and colloidal assemblies but also complex externally driven assembly in soft matter. We strive for fundamental understanding, yet work on practical materials and research questions, typically in tight collaboration with experimental groups. We are the modelling group the Academy of Finland Center of Excellence in Life-Inspired Hybrid Materials (LIBER): we tend to get especially excited about assembly phenomena, the influence of interfaces (surfaces), and external driving of the material self-organization via molecular and energy flows. Soft matter in electric and magnetic fields also gets our attention, as do the effects of ion pairing (charge correlations) and ion gradients in solutions in controlling assembly and structure formation.

Some topic areas that we work on are listed below.

Coacervate / condensate phase of polyelectrolytes and proteins. For polyelectrolyte materials, we have worked on the role of water and ions on the thermal response of materials rising from complex coacervation (polyelectrolyte complexes and multilayers). For protein systems, we focus on block proteins that undergo liquid-liquid phase separation (LLPS) as a preassembly step for structural protein materials. Most of our protein materials work is on synthetic silk-like proteins.

Colloids in apolar environments (oil-water-oil interfaces and reverse micellar systems). An apolar solvent, opposed to water as the solvent, results in surfactant and colloidal assembly systems to a variety of both fundamentally and technologically relevant, yet poorly understood phenomena. We examine assembly and adsorption in reverse micellar systems but also driven self-organization of colloidal assemblies in apolar media. We work on both biobased and synthetic surfactant systems.

Cellulose materials and other carbohydrates. In cellulose materials, we focus on understanding water interactions and co-solute effects at cellulose crystal interfaces to understand transitions in cellulose crystal aqueous suspensions, more precisely sol to gel and gel to stiff gel transitions. We have also ongoing research efforts on solvent effects in colloidal lignin assembly and starch as assembly additive in systems with colloidal particles. In these, our modelling targets biobased, responsive materials.

Meet the team:

Dr. Maria Sammalkorpi

Prof. Maria Sammalkorpi

Maria is a scientist by training, a researcher by disposition, and tends to care. Her researcher profile including an incomplete list of publications and pdfs can be found here (research.aalto.fi). Maria is a principal investigator in  the Academy of Finland Center of Excellence (CoE) in Life Inspired Hybrid Materials (LIBER) and the group is the modelling group of the CoE. Maria also sends special funding love notes to Novo Nordisk Fonden for Ascending Investigator 2022 award.

Maria teaches Molecular Thermodynamics (CHEM-E4210) and Computational Chemistry I (CHEM-E4115). She also instructs a number of student projects and B.Sc. theses for the Aalto degree programs. She is involved in a few other things as well. Anyway, what ever is your reason to seek her out, her work contact information is:

  • Mail: Department of Chemistry and Materials Science & Department of Bioproducts and Biosystems, Aalto University, P.O. Box 16100, FI-00076 AALTO, Finland
  • Office: C225, Kemistintie 1 (Chemistry building)
  • Email: maria.sammalkorpi((at))aalto.fi /
  • Tel: +358-50-3717434

Soft Materials Modelling group:

Join us:

Job openings

  • We are looking for a post-doctoral fellow to join the group. Doctoral student candidates may apply at M.Sc. thesis level.
  • We hire every year 1-2 B.Sc. or M.Sc. students as summer research assistants. The application period is in January.

B.Sc. and M.Sc. theses in soft materials modelling (Aalto University students)

  • B.Sc. thesis: Maria instructs quite a lot of Aalto B.Sc. theses. The topics may cover molecular modelling of soft and bio materials but also more general soft materials topics. An Aalto student who wants to do a B.Sc. thesis or a study related research project should contact Maria to check for possibilities. Number of available positions is limited.
  • M.Sc. thesis: the Soft Materials Modelling group has M.Sc. thesis topics for Aalto University students covering molecular modelling of polymer materials, bio-based colloids, or surfactant assemblies. See the link here for more information.

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Latest publications

Solid-Liquid-Solution Phases in Poly(diallyldimethylammonium)/Poly(acrylic acid) Polyelectrolyte Complexes at Varying Temperatures

Chikaodinaka I. Eneh, Kevin Nixon, Suvesh Manoj Lalwani, Maria Sammalkorpi, Piotr Batys, Jodie L. Lutkenhaus 2024 Macromolecules

Materials Inspired by Living Functions

Mauri A. Kostiainen, Arri Priimagi, Jaakko V.I. Timonen, Robin H.A. Ras, Maria Sammalkorpi, Merja Penttilä, Olli Ikkala, Markus B. Linder 2024 Advanced Functional Materials

Nonmonotonic electrophoretic mobility of rodlike polyelectrolytes by multivalent coions in added salt

Hossein Vahid, Alberto Scacchi, Maria Sammalkorpi, Tapio Ala-Nissila 2024 Physical Review E

Triblock Proteins with Weakly Dimerizing Terminal Blocks and an Intrinsically Disordered Region for Rational Design of Condensate Properties

Dmitrii Fedorov, Nelmary Roas-Escalona, Dmitry Tolmachev, Adam L. Harmat, Alberto Scacchi, Maria Sammalkorpi, A. Sesilja Aranko, Markus B. Linder 2023 Small

Molecular mechanisms of pH-tunable stability and surface coverage of polypeptide films

Adam L. Harmat, Maria Morga, Jodie L. Lutkenhaus, Piotr Batys, Maria Sammalkorpi 2023 Applied Surface Science

Cracking polymer coatings of paper-like surfaces: Control via block co-polymer structure and system composition

Kourosh Hasheminejad, Alberto Scacchi, Sousa Javan Nikkhah, Maria Sammalkorpi 2023 Applied Surface Science

Single core and multicore aggregates from a polymer mixture: A dissipative particle dynamics study

Sousa Javan Nikkhah, Maria Sammalkorpi 2023 Journal of Colloid and Interface Science

pH dependence of the assembly mechanism and properties of poly(l-lysine) and poly(l-glutamic acid) complexes

Tuuva Kastinen, Dawid Lupa, Piotr Bonarek, Dmitrii Fedorov, Maria Morga, Markus B. Linder, Jodie L. Lutkenhaus, Piotr Batys, Maria Sammalkorpi 2023 Physical Chemistry Chemical Physics

Application of amino acid ionic liquids for increasing the stability of DNA in long term storage

Mohammad Khavani, Aliyeh Mehranfar, Hossein Vahid 2023 Journal of Biomolecular Structure and Dynamics
More information on our research in the Aalto research portal.
Research portal
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