Sapna Sarupria

Keyphrases

1. Molecular Dynamics Simulation 100%
2. Forward Flux Sampling 90%
3. Molecular Simulation 80%
4. Water Molecule 74%
5. Aqueous Phase 70%
6. Pt(111) 63%
7. Free Energy 58%
8. Molecular Dynamics 53%
9. Adsorbate 51%
10. Molecular Dynamics Study 47%
11. Compressibility 47%
12. Adsorption 46%
13. Force Field 46%
14. Lipase 46%
15. Density Functional Theory 46%
16. Guest Molecule 45%
17. Ice nucleation 42%
18. Hydrate nucleation 42%
19. Hydrophobic Interaction 42%
20. Low-temperature Activity 42%
21. Clathrate Hydrate 42%
22. Polyamidoamine (PAMAM) 42%
23. Heterogeneous Ice nucleation 40%
24. Heterogeneous Catalysis 39%
25. Hydrogen Bonds (H-bonds) 38%
26. Dendrimer 36%
27. Hydrophobic Solute 35%
28. Cold Activity 34%
29. Nucleation Mechanism 33%
30. Hydration Shell 31%
31. Role of Water 31%
32. Homogeneous nucleation 31%
33. Liquid Water 31%
34. Order Parameter 31%
35. Multiscale Sampling 31%
36. Water Structure 31%
37. Solute 30%
38. Amino Acids 29%
39. Graphene 29%
40. Geobacillus Thermocatenulatus 29%
41. Coarse-grained Model 28%
42. Computational Expense 28%
43. Chemical Accuracy 28%
44. Glycerol 28%
45. Hydrophobic Surface 28%
46. Hydrogen Peroxide 28%
47. Naphthalene 27%
48. Model Surfaces 27%
49. Pressure Denaturation 26%
50. Hydrophobic Hydration 26%