id	sid	tid	token	lemma	pos
df65v694z04	1	1	in	in	ADP
df65v694z04	1	2	this	this	DET
df65v694z04	1	3	dissertation	dissertation	NOUN
df65v694z04	1	4	i	i	PRON
df65v694z04	1	5	present	present	VERB
df65v694z04	1	6	work	work	NOUN
df65v694z04	1	7	on	on	ADP
df65v694z04	1	8	the	the	DET
df65v694z04	1	9	development	development	NOUN
df65v694z04	1	10	and	and	CCONJ
df65v694z04	1	11	application	application	NOUN
df65v694z04	1	12	of	of	ADP
df65v694z04	1	13	molecular	molecular	ADJ
df65v694z04	1	14	dynamics	dynamic	NOUN
df65v694z04	1	15	simulation	simulation	NOUN
df65v694z04	1	16	methodologies	methodology	NOUN
df65v694z04	1	17	for	for	ADP
df65v694z04	1	18	non	non	ADJ
df65v694z04	1	19	-	-	ADJ
df65v694z04	1	20	periodidic	periodidic	ADJ
df65v694z04	1	21	and	and	CCONJ
df65v694z04	1	22	non	non	ADJ
df65v694z04	1	23	-	-	ADJ
df65v694z04	1	24	equilibrium	equilibrium	ADJ
df65v694z04	1	25	systems	system	NOUN
df65v694z04	1	26	,	,	PUNCT
df65v694z04	1	27	culminating	culminate	VERB
df65v694z04	1	28	in	in	ADP
df65v694z04	1	29	the	the	DET
df65v694z04	1	30	direct	direct	ADJ
df65v694z04	1	31	simulation	simulation	NOUN
df65v694z04	1	32	of	of	ADP
df65v694z04	1	33	the	the	DET
df65v694z04	1	34	interfacial	interfacial	ADJ
df65v694z04	1	35	thermal	thermal	ADJ
df65v694z04	1	36	conductance	conductance	NOUN
df65v694z04	1	37	of	of	ADP
df65v694z04	1	38	solvated	solvated	ADJ
df65v694z04	1	39	,	,	PUNCT
df65v694z04	1	40	ligand	ligand	NOUN
df65v694z04	1	41	-	-	PUNCT
df65v694z04	1	42	capped	cap	VERB
df65v694z04	1	43	nanoparticles	nanoparticle	NOUN
df65v694z04	1	44	.	.	PUNCT
df65v694z04	2	1	non	non	ADJ
df65v694z04	2	2	-	-	ADJ
df65v694z04	2	3	periodic	periodic	ADJ
df65v694z04	2	4	geometries	geometry	NOUN
df65v694z04	2	5	present	present	VERB
df65v694z04	2	6	problems	problem	NOUN
df65v694z04	2	7	for	for	ADP
df65v694z04	2	8	traditional	traditional	ADJ
df65v694z04	2	9	affine	affine	ADJ
df65v694z04	2	10	scaling	scale	VERB
df65v694z04	2	11	techniques	technique	NOUN
df65v694z04	2	12	in	in	ADP
df65v694z04	2	13	constant	constant	ADJ
df65v694z04	2	14	-	-	PUNCT
df65v694z04	2	15	pressure	pressure	NOUN
df65v694z04	2	16	constant	constant	ADJ
df65v694z04	2	17	-	-	PUNCT
df65v694z04	2	18	temperature	temperature	NOUN
df65v694z04	2	19	simulations	simulation	NOUN
df65v694z04	2	20	.	.	PUNCT
df65v694z04	3	1	in	in	ADP
df65v694z04	3	2	particular	particular	ADJ
df65v694z04	3	3	,	,	PUNCT
df65v694z04	3	4	explicitly	explicitly	ADV
df65v694z04	3	5	non	non	ADJ
df65v694z04	3	6	-	-	ADJ
df65v694z04	3	7	periodic	periodic	ADJ
df65v694z04	3	8	systems	system	NOUN
df65v694z04	3	9	or	or	CCONJ
df65v694z04	3	10	those	those	PRON
df65v694z04	3	11	containing	contain	VERB
df65v694z04	3	12	materials	material	NOUN
df65v694z04	3	13	with	with	ADP
df65v694z04	3	14	very	very	ADV
df65v694z04	3	15	different	different	ADJ
df65v694z04	3	16	compressibilities	compressibility	NOUN
df65v694z04	3	17	are	be	AUX
df65v694z04	3	18	very	very	ADV
df65v694z04	3	19	difficult	difficult	ADJ
df65v694z04	3	20	to	to	PART
df65v694z04	3	21	simulate	simulate	VERB
df65v694z04	3	22	using	use	VERB
df65v694z04	3	23	exisiting	exisite	VERB
df65v694z04	3	24	methods	method	NOUN
df65v694z04	3	25	.	.	PUNCT
df65v694z04	4	1	our	our	PRON
df65v694z04	4	2	new	new	ADJ
df65v694z04	4	3	method	method	NOUN
df65v694z04	4	4	,	,	PUNCT
df65v694z04	4	5	the	the	DET
df65v694z04	4	6	langevin	langevin	PROPN
df65v694z04	4	7	hull	hull	PROPN
df65v694z04	4	8	,	,	PUNCT
df65v694z04	4	9	maintains	maintain	VERB
df65v694z04	4	10	a	a	DET
df65v694z04	4	11	spherical	spherical	ADJ
df65v694z04	4	12	boundary	boundary	NOUN
df65v694z04	4	13	without	without	ADP
df65v694z04	4	14	the	the	DET
df65v694z04	4	15	use	use	NOUN
df65v694z04	4	16	of	of	ADP
df65v694z04	4	17	perturbative	perturbative	ADJ
df65v694z04	4	18	restraining	restraining	NOUN
df65v694z04	4	19	or	or	CCONJ
df65v694z04	4	20	hard	hard	ADJ
df65v694z04	4	21	wall	wall	NOUN
df65v694z04	4	22	potentials	potential	NOUN
df65v694z04	4	23	.	.	PUNCT
df65v694z04	5	1	velocity	velocity	NOUN
df65v694z04	5	2	shearing	shearing	NOUN
df65v694z04	5	3	and	and	CCONJ
df65v694z04	5	4	scaling	scale	VERB
df65v694z04	5	5	reverse	reverse	ADJ
df65v694z04	5	6	non	non	ADJ
df65v694z04	5	7	-	-	ADJ
df65v694z04	5	8	equilibrium	equilibrium	ADJ
df65v694z04	5	9	molecular	molecular	ADJ
df65v694z04	5	10	dynamics	dynamic	NOUN
df65v694z04	5	11	(	(	PUNCT
df65v694z04	5	12	vss	vss	NOUN
df65v694z04	5	13	-	-	PUNCT
df65v694z04	5	14	rnemd	rnemd	NOUN
df65v694z04	5	15	)	)	PUNCT
df65v694z04	5	16	for	for	ADP
df65v694z04	5	17	periodic	periodic	ADJ
df65v694z04	5	18	systems	system	NOUN
df65v694z04	5	19	is	be	AUX
df65v694z04	5	20	used	use	VERB
df65v694z04	5	21	to	to	PART
df65v694z04	5	22	study	study	VERB
df65v694z04	5	23	the	the	DET
df65v694z04	5	24	effect	effect	NOUN
df65v694z04	5	25	of	of	ADP
df65v694z04	5	26	ligand	ligand	NOUN
df65v694z04	5	27	chain	chain	NOUN
df65v694z04	5	28	length	length	NOUN
df65v694z04	5	29	and	and	CCONJ
df65v694z04	5	30	mixtures	mixture	NOUN
df65v694z04	5	31	of	of	ADP
df65v694z04	5	32	chain	chain	NOUN
df65v694z04	5	33	lengths	length	NOUN
df65v694z04	5	34	on	on	ADP
df65v694z04	5	35	the	the	DET
df65v694z04	5	36	interfacial	interfacial	ADJ
df65v694z04	5	37	thermal	thermal	ADJ
df65v694z04	5	38	conductance	conductance	NOUN
df65v694z04	5	39	(	(	PUNCT
df65v694z04	5	40	g	g	NOUN
df65v694z04	5	41	)	)	PUNCT
df65v694z04	5	42	of	of	ADP
df65v694z04	5	43	au(111	au(111	SPACE
df65v694z04	5	44	)	)	PUNCT
df65v694z04	5	45	interfaces	interface	NOUN
df65v694z04	5	46	protected	protect	VERB
df65v694z04	5	47	by	by	ADP
df65v694z04	5	48	a	a	DET
df65v694z04	5	49	monolayer	monolayer	NOUN
df65v694z04	5	50	of	of	ADP
df65v694z04	5	51	alkanethiolate	alkanethiolate	ADJ
df65v694z04	5	52	ligands	ligand	NOUN
df65v694z04	5	53	and	and	CCONJ
df65v694z04	5	54	solvated	solvate	VERB
df65v694z04	5	55	in	in	ADP
df65v694z04	5	56	hexane	hexane	NOUN
df65v694z04	5	57	.	.	PUNCT
df65v694z04	6	1	there	there	PRON
df65v694z04	6	2	is	be	VERB
df65v694z04	6	3	no	no	DET
df65v694z04	6	4	dependence	dependence	NOUN
df65v694z04	6	5	on	on	ADP
df65v694z04	6	6	chain	chain	NOUN
df65v694z04	6	7	length	length	NOUN
df65v694z04	6	8	for	for	ADP
df65v694z04	6	9	non	non	ADJ
df65v694z04	6	10	-	-	ADJ
df65v694z04	6	11	mixed	mixed	ADJ
df65v694z04	6	12	layers	layer	NOUN
df65v694z04	6	13	,	,	PUNCT
df65v694z04	6	14	and	and	CCONJ
df65v694z04	6	15	a	a	DET
df65v694z04	6	16	non	non	ADJ
df65v694z04	6	17	-	-	ADJ
df65v694z04	6	18	monotonic	monotonic	ADJ
df65v694z04	6	19	dependence	dependence	NOUN
df65v694z04	6	20	of	of	ADP
df65v694z04	6	21	g	g	NOUN
df65v694z04	6	22	on	on	ADP
df65v694z04	6	23	the	the	DET
df65v694z04	6	24	fraction	fraction	NOUN
df65v694z04	6	25	of	of	ADP
df65v694z04	6	26	long	long	ADJ
df65v694z04	6	27	ligands	ligand	NOUN
df65v694z04	6	28	included	include	VERB
df65v694z04	6	29	in	in	ADP
df65v694z04	6	30	a	a	DET
df65v694z04	6	31	mixture	mixture	NOUN
df65v694z04	6	32	of	of	ADP
df65v694z04	6	33	chain	chain	NOUN
df65v694z04	6	34	lengths	length	NOUN
df65v694z04	6	35	.	.	PUNCT
df65v694z04	7	1	proposed	propose	VERB
df65v694z04	7	2	mechanisms	mechanism	NOUN
df65v694z04	7	3	for	for	ADP
df65v694z04	7	4	heat	heat	NOUN
df65v694z04	7	5	transfer	transfer	NOUN
df65v694z04	7	6	rely	rely	VERB
df65v694z04	7	7	on	on	ADP
df65v694z04	7	8	two	two	NUM
df65v694z04	7	9	competing	compete	VERB
df65v694z04	7	10	effects	effect	NOUN
df65v694z04	7	11	:	:	PUNCT
df65v694z04	7	12	mobility	mobility	NOUN
df65v694z04	7	13	of	of	ADP
df65v694z04	7	14	the	the	DET
df65v694z04	7	15	interfacial	interfacial	ADJ
df65v694z04	7	16	solvent	solvent	NOUN
df65v694z04	7	17	and	and	CCONJ
df65v694z04	7	18	vibrational	vibrational	ADJ
df65v694z04	7	19	orientational	orientational	ADJ
df65v694z04	7	20	ordering	ordering	NOUN
df65v694z04	7	21	between	between	ADP
df65v694z04	7	22	ligand	ligand	NOUN
df65v694z04	7	23	and	and	CCONJ
df65v694z04	7	24	solvent	solvent	NOUN
df65v694z04	7	25	molecules	molecule	NOUN
df65v694z04	7	26	.	.	PUNCT
df65v694z04	8	1	combination	combination	NOUN
df65v694z04	8	2	of	of	ADP
df65v694z04	8	3	the	the	DET
df65v694z04	8	4	langevin	langevin	PROPN
df65v694z04	8	5	hull	hull	PROPN
df65v694z04	8	6	non	non	ADJ
df65v694z04	8	7	-	-	ADJ
df65v694z04	8	8	periodic	periodic	ADJ
df65v694z04	8	9	simulation	simulation	NOUN
df65v694z04	8	10	method	method	NOUN
df65v694z04	8	11	with	with	ADP
df65v694z04	8	12	existing	exist	VERB
df65v694z04	8	13	vss	vss	ADJ
df65v694z04	8	14	-	-	PUNCT
df65v694z04	8	15	rnemd	rnemd	NOUN
df65v694z04	8	16	methodology	methodology	NOUN
df65v694z04	8	17	yields	yield	VERB
df65v694z04	8	18	a	a	DET
df65v694z04	8	19	new	new	ADJ
df65v694z04	8	20	non	non	ADJ
df65v694z04	8	21	-	-	ADJ
df65v694z04	8	22	periodic	periodic	ADJ
df65v694z04	8	23	,	,	PUNCT
df65v694z04	8	24	non	non	ADJ
df65v694z04	8	25	-	-	ADJ
df65v694z04	8	26	equilibrium	equilibrium	ADJ
df65v694z04	8	27	simulation	simulation	NOUN
df65v694z04	8	28	method	method	NOUN
df65v694z04	8	29	.	.	PUNCT
df65v694z04	9	1	the	the	DET
df65v694z04	9	2	ability	ability	NOUN
df65v694z04	9	3	to	to	PART
df65v694z04	9	4	impose	impose	VERB
df65v694z04	9	5	kinetic	kinetic	ADJ
df65v694z04	9	6	energy	energy	NOUN
df65v694z04	9	7	and	and	CCONJ
df65v694z04	9	8	angular	angular	ADJ
df65v694z04	9	9	momentum	momentum	NOUN
df65v694z04	9	10	fluxes	flux	NOUN
df65v694z04	9	11	in	in	ADP
df65v694z04	9	12	non	non	ADJ
df65v694z04	9	13	-	-	ADJ
df65v694z04	9	14	periodic	periodic	ADJ
df65v694z04	9	15	geometries	geometry	NOUN
df65v694z04	9	16	allows	allow	VERB
df65v694z04	9	17	for	for	ADP
df65v694z04	9	18	the	the	DET
df65v694z04	9	19	direct	direct	ADJ
df65v694z04	9	20	computation	computation	NOUN
df65v694z04	9	21	of	of	ADP
df65v694z04	9	22	transport	transport	NOUN
df65v694z04	9	23	properties	property	NOUN
df65v694z04	9	24	in	in	ADP
df65v694z04	9	25	explicitly	explicitly	ADV
df65v694z04	9	26	non	non	ADJ
df65v694z04	9	27	-	-	ADJ
df65v694z04	9	28	periodic	periodic	ADJ
df65v694z04	9	29	systems	system	NOUN
df65v694z04	9	30	.	.	PUNCT
df65v694z04	10	1	the	the	DET
df65v694z04	10	2	interfacial	interfacial	ADJ
df65v694z04	10	3	thermal	thermal	ADJ
df65v694z04	10	4	conductance	conductance	NOUN
df65v694z04	10	5	and	and	CCONJ
df65v694z04	10	6	interfacial	interfacial	ADJ
df65v694z04	10	7	rotational	rotational	ADJ
df65v694z04	10	8	friction	friction	NOUN
df65v694z04	10	9	are	be	AUX
df65v694z04	10	10	calculated	calculate	VERB
df65v694z04	10	11	for	for	ADP
df65v694z04	10	12	gold	gold	ADJ
df65v694z04	10	13	nanostructures	nanostructure	NOUN
df65v694z04	10	14	solvated	solvate	VERB
df65v694z04	10	15	in	in	ADP
df65v694z04	10	16	a	a	DET
df65v694z04	10	17	droplet	droplet	NOUN
df65v694z04	10	18	of	of	ADP
df65v694z04	10	19	hexane	hexane	NOUN
df65v694z04	10	20	,	,	PUNCT
df65v694z04	10	21	as	as	ADV
df65v694z04	10	22	well	well	ADV
df65v694z04	10	23	as	as	ADP
df65v694z04	10	24	the	the	DET
df65v694z04	10	25	thermal	thermal	ADJ
df65v694z04	10	26	conductivity	conductivity	NOUN
df65v694z04	10	27	of	of	ADP
df65v694z04	10	28	homogeneous	homogeneous	ADJ
df65v694z04	10	29	metal	metal	NOUN
df65v694z04	10	30	and	and	CCONJ
df65v694z04	10	31	water	water	NOUN
df65v694z04	10	32	clusters	cluster	NOUN
df65v694z04	10	33	.	.	PUNCT
df65v694z04	11	1	finally	finally	ADV
df65v694z04	11	2	,	,	PUNCT
df65v694z04	11	3	the	the	DET
df65v694z04	11	4	new	new	ADJ
df65v694z04	11	5	non	non	ADJ
df65v694z04	11	6	-	-	ADJ
df65v694z04	11	7	periodic	periodic	ADJ
df65v694z04	11	8	vss	vss	NOUN
df65v694z04	11	9	-	-	PUNCT
df65v694z04	11	10	rnemd	rnemd	NOUN
df65v694z04	11	11	is	be	AUX
df65v694z04	11	12	utilized	utilize	VERB
df65v694z04	11	13	to	to	PART
df65v694z04	11	14	compute	compute	VERB
df65v694z04	11	15	the	the	DET
df65v694z04	11	16	interfacial	interfacial	ADJ
df65v694z04	11	17	thermal	thermal	ADJ
df65v694z04	11	18	conductance	conductance	NOUN
df65v694z04	11	19	of	of	ADP
df65v694z04	11	20	alkanethiolate	alkanethiolate	ADJ
df65v694z04	11	21	ligand	ligand	NOUN
df65v694z04	11	22	-	-	PUNCT
df65v694z04	11	23	protected	protect	VERB
df65v694z04	11	24	gold	gold	NOUN
df65v694z04	11	25	nanoparticles	nanoparticle	NOUN
df65v694z04	11	26	solvated	solvate	VERB
df65v694z04	11	27	in	in	ADP
df65v694z04	11	28	a	a	DET
df65v694z04	11	29	droplet	droplet	NOUN
df65v694z04	11	30	of	of	ADP
df65v694z04	11	31	hexane	hexane	NOUN
df65v694z04	11	32	.	.	PUNCT
df65v694z04	12	1	there	there	PRON
df65v694z04	12	2	is	be	VERB
df65v694z04	12	3	no	no	DET
df65v694z04	12	4	discernible	discernible	ADJ
df65v694z04	12	5	dependence	dependence	NOUN
df65v694z04	12	6	of	of	ADP
df65v694z04	12	7	g	g	NOUN
df65v694z04	12	8	on	on	ADP
df65v694z04	12	9	nanoparticle	nanoparticle	NOUN
df65v694z04	12	10	size	size	NOUN
df65v694z04	12	11	,	,	PUNCT
df65v694z04	12	12	but	but	CCONJ
df65v694z04	12	13	a	a	DET
df65v694z04	12	14	strong	strong	ADJ
df65v694z04	12	15	dependence	dependence	NOUN
df65v694z04	12	16	on	on	ADP
df65v694z04	12	17	the	the	DET
df65v694z04	12	18	length	length	NOUN
df65v694z04	12	19	of	of	ADP
df65v694z04	12	20	the	the	DET
df65v694z04	12	21	ligand	ligand	NOUN
df65v694z04	12	22	alkane	alkane	NOUN
df65v694z04	12	23	chain	chain	NOUN
df65v694z04	12	24	.	.	PUNCT
df65v694z04	13	1	the	the	DET
df65v694z04	13	2	proposed	propose	VERB
df65v694z04	13	3	heat	heat	NOUN
df65v694z04	13	4	transfer	transfer	NOUN
df65v694z04	13	5	mechanisms	mechanism	NOUN
df65v694z04	13	6	are	be	AUX
df65v694z04	13	7	based	base	VERB
df65v694z04	13	8	on	on	ADP
df65v694z04	13	9	ligand	ligand	NOUN
df65v694z04	13	10	chain	chain	NOUN
df65v694z04	13	11	flexibility	flexibility	NOUN
df65v694z04	13	12	,	,	PUNCT
df65v694z04	13	13	solvent	solvent	ADJ
df65v694z04	13	14	penetration	penetration	NOUN
df65v694z04	13	15	of	of	ADP
df65v694z04	13	16	the	the	DET
df65v694z04	13	17	ligand	ligand	NOUN
df65v694z04	13	18	layer	layer	NOUN
df65v694z04	13	19	,	,	PUNCT
df65v694z04	13	20	and	and	CCONJ
df65v694z04	13	21	ligand	ligand	NOUN
df65v694z04	13	22	-	-	PUNCT
df65v694z04	13	23	induced	induce	VERB
df65v694z04	13	24	restructuring	restructuring	NOUN
df65v694z04	13	25	of	of	ADP
df65v694z04	13	26	the	the	DET
df65v694z04	13	27	nanoparticle	nanoparticle	NOUN
df65v694z04	13	28	surface	surface	NOUN
df65v694z04	13	29	.	.	PUNCT