Kim K - Search Results

1

Unveiling interatomic distances influencing the reaction coordinates in alanine dipeptide isomerization: An explainable deep learning approach.

Okada K, Kikutsuji T, Okazaki KI, Mori T, Kim K, Matubayasi N. Okada K, et al. Among authors: kim k. J Chem Phys. 2024 May 7;160(17):174110. doi: 10.1063/5.0203346. J Chem Phys. 2024. PMID: 38748008

2

How do hydrogen bonds break in supercooled water?: Detecting pathways not going through saddle point of two-dimensional potential of mean force.

Kikutsuji T, Kim K, Matubayasi N. Kikutsuji T, et al. Among authors: kim k. J Chem Phys. 2018 Jun 28;148(24):244501. doi: 10.1063/1.5033419. J Chem Phys. 2018. PMID: 29960335

3

Free-energy analysis of the hydration and cosolvent effects on the β-sheet aggregation through all-atom molecular dynamics simulation.

Masutani K, Yamamori Y, Kim K, Matubayasi N. Masutani K, et al. Among authors: kim k. J Chem Phys. 2019 Apr 14;150(14):145101. doi: 10.1063/1.5088395. J Chem Phys. 2019. PMID: 30981229

4

Bridging the gap between molecular dynamics and hydrodynamics in nanoscale Brownian motions.

Mizuta K , Ishii Y , Kim K , Matubayasi N . Mizuta K , et al. Among authors: kim k. Soft Matter. 2019 May 29;15(21):4380-4390. doi: 10.1039/c9sm00246d. Soft Matter. 2019. PMID: 31086871

5

Diffusion dynamics of supercooled water modeled with the cage-jump motion and hydrogen-bond rearrangement.

Kikutsuji T, Kim K, Matubayasi N. Kikutsuji T, et al. Among authors: kim k. J Chem Phys. 2019 May 28;150(20):204502. doi: 10.1063/1.5095978. J Chem Phys. 2019. PMID: 31153185

6

Boson peak, elasticity, and glass transition temperature in polymer glasses: Effects of the rigidity of chain bending.

Tomoshige N, Mizuno H, Mori T, Kim K, Matubayasi N. Tomoshige N, et al. Among authors: kim k. Sci Rep. 2019 Dec 20;9(1):19514. doi: 10.1038/s41598-019-55564-2. Sci Rep. 2019. PMID: 31862997 Free PMC article.

7

Learning reaction coordinates via cross-entropy minimization: Application to alanine dipeptide.

Mori Y, Okazaki KI, Mori T, Kim K, Matubayasi N. Mori Y, et al. Among authors: kim k. J Chem Phys. 2020 Aug 7;153(5):054115. doi: 10.1063/5.0009066. J Chem Phys. 2020. PMID: 32770909

8

Understanding the scaling of boson peak through insensitivity of elastic heterogeneity to bending rigidity in polymer glasses.

Tomoshige N, Goto S, Mizuno H, Mori T, Kim K, Matubayasi N. Tomoshige N, et al. Among authors: kim k. J Phys Condens Matter. 2021 May 28;33(27). doi: 10.1088/1361-648X/abfd51. J Phys Condens Matter. 2021. PMID: 33930889

9

Transition pathway of hydrogen bond switching in supercooled water analyzed by the Markov state model.

Kikutsuji T, Kim K, Matubayasi N. Kikutsuji T, et al. Among authors: kim k. J Chem Phys. 2021 Jun 21;154(23):234501. doi: 10.1063/5.0055531. J Chem Phys. 2021. PMID: 34241244

10

Breakdown of the Stokes-Einstein relation in supercooled liquids: A cage-jump perspective.

Pastore R, Kikutsuji T, Rusciano F, Matubayasi N, Kim K, Greco F. Pastore R, et al. Among authors: kim k. J Chem Phys. 2021 Sep 21;155(11):114503. doi: 10.1063/5.0059622. J Chem Phys. 2021. PMID: 34551555

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