Kristen Fichthorn

Affiliate Researcher
Titles and Affiliations
Merrell R. Fenske Professor, Chemical Engineering

Research Summary

Applying atomistic simulation techniques, quantum mechanics, and condensed-matter theory to study materials interfaces with a focus on thin-film epitaxy; growth, transformation, and assembly of nanoscale materials; multi-scale simulation of materials and

In the News

Research Keywords

 These keywords and phrases come from the publications and other research output of this person. See other researchers related to these topics by clicking on any keyword.

Recent Publications

Growing crystals by design: General discussion

Anderson, M., Bennett, M., Cedeno, R., Dudek, M. K., Fichthorn, K., Finney, A. R., Ford, I., Freeman, C., Hare, A., Hewson, C., Hill, A., Kim, J., Kirschhock, C., Kuttner, C., Meldrum, F., Nilsson Lill, S. O., Pooley, R., Rietveld, I. B., Rimer, J., Roberts, K., & 8 othersRogal, J., Salvalaglio, M., Sefcik, J., Sun, W., Thompson, D., Tong, J., Trueman, M. & Vekilov, P., Jul 4 2022, In: Faraday Discussions. 235, p. 383-405 23 p.

Research output: Contribution to journalComment/debatepeer-review

Understanding crystal nucleation mechanisms: Where do we stand? General discussion

Anderson, M. W., Bennett, M., Cedeno, R., Cölfen, H., Cox, S. J., Cruz-Cabeza, A. J., de Yoreo, J. J., Drummond-Brydson, R., Dudek, M. K., Fichthorn, K. A., Finney, A. R., Ford, I., Galloway, J. M., Gebauer, D., Grossier, R., Harding, J. H., Hare, A., Horváth, D., Hunter, L., Kim, J., & 29 othersKimura, Y., Kirschhock, C. E. A., Kiselev, A. A., Kras, W., Kuttner, C., Lee, A. Y., Liao, Z., Maini, L., Nilsson Lill, S. O., Pellens, N., Price, S. L., Rietveld, I. B., Rimer, J. D., Roberts, K. J., Rogal, J., Salvalaglio, M., Sandei, I., Schuszter, G., Sefcik, J., Sun, W., ter Horst, J. H., Ukrainczyk, M., van Driessche, A. E. S., Veesler, S., Vekilov, P. G., Verma, V., Whale, T., Wheatcroft, H. P. & Zeglinski, J., Jul 5 2022, In: Faraday Discussions. 235, p. 219-272 54 p.

Research output: Contribution to journalComment/debatepeer-review

Controlling polymorphism: General discussion

Cedeno, R., Cruz-Cabeza, A., Drummond-Brydson, R., Dudek, M. K., Edkins, K., Fichthorn, K., Finney, A. R., Ford, I., Galloway, J. M., Grossier, R., Kim, J., Kuttner, C., Maini, L., Meldrum, F., Miller, M., Morris, P., Nilsson Lill, S. O., Pokroy, B., Price, S., Rietveld, I. B., & 11 othersRimer, J., Roberts, K., Rogal, J., Salvalaglio, M., Sefcik, J., Sun, W., Veesler, S., Vekilov, P., Wheatcroft, H., Whittaker, M. & Zhao, R., Jul 5 2022, In: Faraday Discussions. 235, p. 508-535 28 p.

Research output: Contribution to journalComment/debatepeer-review

OptiBoost: A method for choosing a safe and efficient boost for the bond-boost method in accelerated molecular dynamics simulations with hyperdynamics

Cui, J. & Fichthorn, K. A., May 28 2022, In: Journal of Chemical Physics. 156, 20, 204107.

Research output: Contribution to journalArticlepeer-review

Green chemistry and first-principles theory enhance catalysis: synthesis and 6-fold catalytic activity increase of sub-5 nm Pd and Pt@Pd nanocubes

Mastronardi, V., Kim, J., Veronesi, M., Pomili, T., Berti, F., Udayan, G., Brescia, R., Diercks, J. S., Herranz, J., Bandiera, T., Fichthorn, K. A., Pompa, P. P. & Moglianetti, M., Jun 30 2022, In: Nanoscale. 14, 28, p. 10155-10168 14 p.

Research output: Contribution to journalArticlepeer-review

Adsorption of alkylamines on Cu surfaces: Identifying ideal capping molecules using first-principles calculations

Chen, Z. & Fichthorn, K. A., Nov 28 2021, In: Nanoscale. 13, 44, p. 18536-18545 10 p.

Research output: Contribution to journalArticlepeer-review

Adsorption of ethylenediamine on Cu surfaces: Attributes of a successful capping molecule using first-principles calculations

Chen, Z. & Fichthorn, K. A., Aug 21 2021, In: Nanoscale. 13, 31, p. 13529-13537 9 p.

Research output: Contribution to journalArticlepeer-review

Shapes and shape transformations of solution-phase metal particles in the sub-nanometer to nanometer size range: Progress and challenges

Fichthorn, K. A. & Yan, T., Feb 25 2021, In: Journal of Physical Chemistry C. 125, 7, p. 3668-3679 12 p.

Research output: Contribution to journalReview articlepeer-review

Understanding the Solution-Phase Growth of Cu and Ag Nanowires and Nanocubes from First Principles

Fichthorn, K. A., Chen, Z., Chen, Z., Rioux, R. M., Kim, M. J. & Wiley, B. J., Apr 20 2021, In: Langmuir. 37, 15, p. 4419-4431 13 p.

Research output: Contribution to journalArticlepeer-review

Isotropic Iodide Adsorption Causes Anisotropic Growth of Copper Microplates

Kim, M. J., Cruz, M. A., Chen, Z., Xu, H., Brown, M., Fichthorn, K. A. & Wiley, B. J., Feb 9 2021, In: Chemistry of Materials. 33, 3, p. 881-891 11 p.

Research output: Contribution to journalArticlepeer-review

Solution-Phase Growth of Cu Nanowires with Aspect Ratios Greater Than 1000: Multiscale Theory

Kim, J., Cui, J. & Fichthorn, K. A., Nov 23 2021, In: ACS nano. 15, 11, p. 18279-18288 10 p.

Research output: Contribution to journalArticlepeer-review

The influence of iodide on the solution-phase growth of Cu microplates: a multi-scale theoretical analysis from first principles

Kim, J. & Fichthorn, K. A., Dec 14 2021, In: Faraday Discussions. 235, p. 273-288 16 p.

Research output: Contribution to journalArticlepeer-review

Self-Assembly of a Linear Alkylamine Bilayer around a Cu Nanocrystal: Molecular Dynamics

Yan, T. & Fichthorn, K. A., Apr 29 2021, In: Journal of Physical Chemistry B. 125, 16, p. 4178-4186 9 p.

Research output: Contribution to journalArticlepeer-review

Oriented attachment mechanism of triangular Ag nanoplates: A molecular dynamics study

Balankura, T., Yan, T., Jahanmahin, O., Narukatpichai, J., Ng, A., Fichthorn, K. A. & Fichthorn, K. A., Jun 2020, In: Nanoscale Advances. 2, 6, p. 2265-2270 6 p.

Research output: Contribution to journalArticlepeer-review

Development and initial applications of an e-ReaxFF description of Ag nanoclusters

Evangelisti, B., Fichthorn, K. A. & Van Duin, A. C. T., Sep 14 2020, In: Journal of Chemical Physics. 153, 10, 104106.

Research output: Contribution to journalArticlepeer-review