| Year |
Citation |
Score |
| 2024 |
Liu K, Rotskoff GM, Vanden-Eijnden E, Hocky GM. Computing equilibrium free energies through a nonequilibrium quench. The Journal of Chemical Physics. 160. PMID 38240301 DOI: 10.1063/5.0176700 |
0.62 |
|
| 2022 |
Gabrié M, Rotskoff GM, Vanden-Eijnden E. Adaptive Monte Carlo augmented with normalizing flows. Proceedings of the National Academy of Sciences of the United States of America. 119: e2109420119. PMID 35235453 DOI: 10.1073/pnas.2109420119 |
0.629 |
|
| 2020 |
Hartmann MJ, Singh Y, Vanden-Eijnden E, Hocky GM. Infinite switch simulated tempering in force (FISST). The Journal of Chemical Physics. 152: 244120. PMID 32610977 DOI: 10.1063/5.0009280 |
0.608 |
|
| 2019 |
Grafke T, Vanden-Eijnden E. Numerical computation of rare events via large deviation theory. Chaos (Woodbury, N.Y.). 29: 063118. PMID 31266328 DOI: 10.1063/1.5084025 |
0.368 |
|
| 2019 |
Rotskoff GM, Vanden-Eijnden E. Dynamical Computation of the Density of States and Bayes Factors Using Nonequilibrium Importance Sampling. Physical Review Letters. 122: 150602. PMID 31050526 DOI: 10.1103/PhysRevLett.122.150602 |
0.671 |
|
| 2017 |
Rotskoff GM, Crooks GE, Vanden-Eijnden E. Geometric approach to optimal nonequilibrium control: Minimizing dissipation in nanomagnetic spin systems. Physical Review. E. 95: 012148. PMID 28208424 DOI: 10.1103/Physreve.95.012148 |
0.597 |
|
| 2016 |
Yu TQ, Lu J, Abrams CF, Vanden-Eijnden E. Multiscale implementation of infinite-swap replica exchange molecular dynamics. Proceedings of the National Academy of Sciences of the United States of America. PMID 27698148 DOI: 10.1073/Pnas.1605089113 |
0.404 |
|
| 2015 |
Wu X, Brooks BR, Vanden-Eijnden E. Self-guided Langevin dynamics via generalized Langevin equation. Journal of Computational Chemistry. PMID 26183423 DOI: 10.1002/Jcc.24015 |
0.341 |
|
| 2015 |
Yu TQ, Lapelosa M, Vanden-Eijnden E, Abrams CF. Full kinetics of CO entry, internal diffusion, and exit in myoglobin from transition-path theory simulations. Journal of the American Chemical Society. 137: 3041-50. PMID 25664858 DOI: 10.1021/Ja512484Q |
0.31 |
|
| 2014 |
Yu TQ, Chen PY, Chen M, Samanta A, Vanden-Eijnden E, Tuckerman M. Order-parameter-aided temperature-accelerated sampling for the exploration of crystal polymorphism and solid-liquid phase transitions. The Journal of Chemical Physics. 140: 214109. PMID 24907992 DOI: 10.1063/1.4878665 |
0.347 |
|
| 2013 |
Lu J, Vanden-Eijnden E. Infinite swapping replica exchange molecular dynamics leads to a simple simulation patch using mixture potentials. The Journal of Chemical Physics. 138: 084105. PMID 23464138 DOI: 10.1063/1.4790706 |
0.329 |
|
| 2012 |
Abrams CF, Vanden-Eijnden E. On-the-fly free energy parameterization via temperature accelerated molecular dynamics. Chemical Physics Letters. 547: 114-119. PMID 23226688 DOI: 10.1016/J.Cplett.2012.07.064 |
0.326 |
|
| 2009 |
Maragliano L, Vanden-Eijnden E, Roux B. Free energy and kinetics of conformational transitions from Voronoi tessellated milestoning with restraining potentials. Journal of Chemical Theory and Computation. 5: 2589-2594. PMID 20354583 DOI: 10.1021/Ct900279Z |
0.308 |
|
| 2009 |
Vanden-Eijnden E, Venturoli M. Revisiting the finite temperature string method for the calculation of reaction tubes and free energies. The Journal of Chemical Physics. 130: 194103. PMID 19466817 DOI: 10.1063/1.3130083 |
0.329 |
|
| 2008 |
Maragliano L, Vanden-Eijnden E. Single-sweep methods for free energy calculations Journal of Chemical Physics. 128. PMID 18532802 DOI: 10.1063/1.2907241 |
0.315 |
|
| 2006 |
Maragliano L, Fischer A, Vanden-Eijnden E, Ciccotti G. String method in collective variables: minimum free energy paths and isocommittor surfaces. The Journal of Chemical Physics. 125: 24106. PMID 16848576 DOI: 10.1063/1.2212942 |
0.346 |
|
| 2005 |
Ciccotti G, Kapral R, Vanden-Eijnden E. Blue moon sampling, vectorial reaction coordinates, and unbiased constrained dynamics. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 1809-14. PMID 16144000 DOI: 10.1002/Cphc.200400669 |
0.318 |
|
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