Publikationen von Omar Valsson
Alle Typen
Zeitschriftenartikel (13)
1.
Zeitschriftenartikel
XXXX (XXX), S. XXX - XXX (2023)
Molecular Simulation Strategies for Understanding the Degradation Mechanisms of Acrylic Polymers. Macromolecules 2.
Zeitschriftenartikel
107 (2), 024141 (2023)
Sampling rare event energy landscapes via birth-death augmented dynamics. Physical Review E 3.
Zeitschriftenartikel
22 (24), S. 9847 - 9853 (2022)
The Crucial Role of Solvation Forces in the Steric Stabilization of Nanoplatelets. Nano Letters 4.
Zeitschriftenartikel
18 (7), S. 4127 - 4141 (2022)
Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials. Journal of Chemical Theory and Computation 5.
Zeitschriftenartikel
125 (38), S. 10854 - 10865 (2021)
Acrylic Paints: An Atomistic View of Polymer Structure and Effects of Environmental Pollutants. The Journal of Physical Chemistry B 6.
Zeitschriftenartikel
125 (28), S. 6286 - 6302 (2021)
Multiscale Reweighted Stochastic Embedding: Deep Learning of Collective Variables for Enhanced Sampling. The Journal of Physical Chemistry A 7.
Zeitschriftenartikel
16 (10), S. 6702 - 6715 (2020)
Mg2+ Sensing by an RNA Fragment: Role of Mg2+-Coordinated Water Molecules. Journal of Chemical Theory and Computation 8.
Zeitschriftenartikel
16 (42), S. 9683 - 9692 (2020)
Free-energy landscape of polymer-crystal polymorphism. Soft Matter 9.
Zeitschriftenartikel
150 (22), 221101 (2019)
Finding multiple reaction pathways of ligand unbinding. The Journal of Chemical Physics 10.
Zeitschriftenartikel
16 (8), S. 670 - 673 (2019)
Promoting transparency and reproducibility in enhanced molecular simulations. Nature methods 11.
Zeitschriftenartikel
149 (7), 072305 (2018)
Chemical potential calculations in non-homogeneous liquids. The Journal of Chemical Physics 12.
Zeitschriftenartikel
149 (7), 072309 (2018)
Frequency adaptive metadynamics for the calculation of rare-event kinetics. The Journal of Chemical Physics 13.
Zeitschriftenartikel
8 (19), S. 4752 - 4756 (2017)
Conformational Entropy as Collective Variable for Proteins. The Journal of Physical Chemistry Letters Buchkapitel (1)
14.
Buchkapitel
Variationally Enhanced Sampling. In: Handbook of Materials Modeling: Methods: Theory and Modeling, S. 1 - 14 (Hg. Andreoni , W.; Yip, S.). Springer, Cham (2018)
Meeting Abstract (1)
15.
Meeting Abstract
257, 88. National Meeting of the American-Chemical-Society (ACS), Orlando, FL, USA, 31. März 2019 - 04. April 2019. ACS, Washington DC, USA (2019)
Recent developments and applications of variationally enhanced sampling. In Abstracts of Papers of the American Chemical Society,