id	sid	tid	token	lemma	pos
sj139023306	1	1	in	in	ADP
sj139023306	1	2	this	this	DET
sj139023306	1	3	thesis	thesis	NOUN
sj139023306	1	4	,	,	PUNCT
sj139023306	1	5	classical	classical	ADJ
sj139023306	1	6	molecular	molecular	ADJ
sj139023306	1	7	dynamics	dynamic	NOUN
sj139023306	1	8	simulations	simulation	NOUN
sj139023306	1	9	are	be	AUX
sj139023306	1	10	used	use	VERB
sj139023306	1	11	to	to	PART
sj139023306	1	12	provide	provide	VERB
sj139023306	1	13	insight	insight	NOUN
sj139023306	1	14	into	into	ADP
sj139023306	1	15	systems	system	NOUN
sj139023306	1	16	of	of	ADP
sj139023306	1	17	electrolytes	electrolyte	NOUN
sj139023306	1	18	for	for	ADP
sj139023306	1	19	use	use	NOUN
sj139023306	1	20	in	in	ADP
sj139023306	1	21	next	next	ADJ
sj139023306	1	22	generation	generation	NOUN
sj139023306	1	23	batteries	battery	NOUN
sj139023306	1	24	.	.	PUNCT
sj139023306	2	1	in	in	ADP
sj139023306	2	2	the	the	DET
sj139023306	2	3	first	first	ADJ
sj139023306	2	4	part	part	NOUN
sj139023306	2	5	of	of	ADP
sj139023306	2	6	this	this	DET
sj139023306	2	7	thesis	thesis	NOUN
sj139023306	2	8	,	,	PUNCT
sj139023306	2	9	a	a	DET
sj139023306	2	10	collection	collection	NOUN
sj139023306	2	11	of	of	ADP
sj139023306	2	12	tools	tool	NOUN
sj139023306	2	13	are	be	AUX
sj139023306	2	14	developed	develop	VERB
sj139023306	2	15	to	to	PART
sj139023306	2	16	calculate	calculate	VERB
sj139023306	2	17	coordination	coordination	NOUN
sj139023306	2	18	numbers	number	NOUN
sj139023306	2	19	,	,	PUNCT
sj139023306	2	20	self	self	NOUN
sj139023306	2	21	-	-	PUNCT
sj139023306	2	22	diffusivities	diffusivitie	NOUN
sj139023306	2	23	,	,	PUNCT
sj139023306	2	24	ionic	ionic	ADJ
sj139023306	2	25	conductivities	conductivity	NOUN
sj139023306	2	26	,	,	PUNCT
sj139023306	2	27	molecule	molecule	NOUN
sj139023306	2	28	pair	pair	NOUN
sj139023306	2	29	lifetimes	lifetime	NOUN
sj139023306	2	30	,	,	PUNCT
sj139023306	2	31	dielectric	dielectric	ADJ
sj139023306	2	32	constants	constant	NOUN
sj139023306	2	33	and	and	CCONJ
sj139023306	2	34	viscosities	viscosity	NOUN
sj139023306	2	35	in	in	ADP
sj139023306	2	36	a	a	DET
sj139023306	2	37	reliable	reliable	ADJ
sj139023306	2	38	,	,	PUNCT
sj139023306	2	39	reproducible	reproducible	VERB
sj139023306	2	40	and	and	CCONJ
sj139023306	2	41	automated	automated	ADJ
sj139023306	2	42	fashion	fashion	NOUN
sj139023306	2	43	.	.	PUNCT
sj139023306	3	1	these	these	DET
sj139023306	3	2	tools	tool	NOUN
sj139023306	3	3	include	include	VERB
sj139023306	3	4	an	an	DET
sj139023306	3	5	extension	extension	NOUN
sj139023306	3	6	of	of	ADP
sj139023306	3	7	recently	recently	ADV
sj139023306	3	8	released	release	VERB
sj139023306	3	9	guidelines	guideline	NOUN
sj139023306	3	10	for	for	ADP
sj139023306	3	11	calculating	calculate	VERB
sj139023306	3	12	viscosities	viscosity	NOUN
sj139023306	3	13	to	to	PART
sj139023306	3	14	include	include	VERB
sj139023306	3	15	an	an	DET
sj139023306	3	16	estimate	estimate	NOUN
sj139023306	3	17	of	of	ADP
sj139023306	3	18	the	the	DET
sj139023306	3	19	uncertainty	uncertainty	NOUN
sj139023306	3	20	.	.	PUNCT
sj139023306	4	1	in	in	ADP
sj139023306	4	2	the	the	DET
sj139023306	4	3	next	next	ADJ
sj139023306	4	4	part	part	NOUN
sj139023306	4	5	of	of	ADP
sj139023306	4	6	this	this	DET
sj139023306	4	7	thesis	thesis	NOUN
sj139023306	4	8	,	,	PUNCT
sj139023306	4	9	ion	ion	NOUN
sj139023306	4	10	pair	pair	NOUN
sj139023306	4	11	lifetimes	lifetime	NOUN
sj139023306	4	12	and	and	CCONJ
sj139023306	4	13	diffusivities	diffusivitie	NOUN
sj139023306	4	14	are	be	AUX
sj139023306	4	15	tested	test	VERB
sj139023306	4	16	as	as	ADP
sj139023306	4	17	predictors	predictor	NOUN
sj139023306	4	18	for	for	ADP
sj139023306	4	19	viscosity	viscosity	NOUN
sj139023306	4	20	in	in	ADP
sj139023306	4	21	ionic	ionic	ADJ
sj139023306	4	22	liquids	liquid	NOUN
sj139023306	4	23	.	.	PUNCT
sj139023306	5	1	these	these	DET
sj139023306	5	2	predictors	predictor	NOUN
sj139023306	5	3	were	be	AUX
sj139023306	5	4	shown	show	VERB
sj139023306	5	5	to	to	PART
sj139023306	5	6	be	be	AUX
sj139023306	5	7	able	able	ADJ
sj139023306	5	8	to	to	PART
sj139023306	5	9	predict	predict	VERB
sj139023306	5	10	low	low	ADJ
sj139023306	5	11	viscosity	viscosity	NOUN
sj139023306	5	12	ionic	ionic	ADJ
sj139023306	5	13	liquids	liquid	NOUN
sj139023306	5	14	with	with	ADP
sj139023306	5	15	an	an	DET
sj139023306	5	16	80	80	NUM
sj139023306	5	17	%	%	NOUN
sj139023306	5	18	success	success	NOUN
sj139023306	5	19	rate	rate	NOUN
sj139023306	5	20	,	,	PUNCT
sj139023306	5	21	with	with	ADP
sj139023306	5	22	significantly	significantly	ADV
sj139023306	5	23	reduced	reduce	VERB
sj139023306	5	24	computational	computational	ADJ
sj139023306	5	25	expense	expense	NOUN
sj139023306	5	26	.	.	PUNCT
sj139023306	6	1	these	these	DET
sj139023306	6	2	methods	method	NOUN
sj139023306	6	3	can	can	AUX
sj139023306	6	4	be	be	AUX
sj139023306	6	5	applied	apply	VERB
sj139023306	6	6	to	to	ADP
sj139023306	6	7	high	high	ADJ
sj139023306	6	8	-	-	PUNCT
sj139023306	6	9	throughput	throughput	NOUN
sj139023306	6	10	screening	screening	NOUN
sj139023306	6	11	to	to	PART
sj139023306	6	12	reduce	reduce	VERB
sj139023306	6	13	the	the	DET
sj139023306	6	14	computational	computational	ADJ
sj139023306	6	15	expense	expense	NOUN
sj139023306	6	16	.	.	PUNCT
sj139023306	7	1	the	the	DET
sj139023306	7	2	second	second	ADJ
sj139023306	7	3	half	half	NOUN
sj139023306	7	4	of	of	ADP
sj139023306	7	5	this	this	DET
sj139023306	7	6	thesis	thesis	NOUN
sj139023306	7	7	looks	look	VERB
sj139023306	7	8	at	at	ADP
sj139023306	7	9	the	the	DET
sj139023306	7	10	molecular	molecular	ADJ
sj139023306	7	11	structures	structure	NOUN
sj139023306	7	12	in	in	ADP
sj139023306	7	13	electrolyte	electrolyte	ADJ
sj139023306	7	14	solutions	solution	NOUN
sj139023306	7	15	for	for	ADP
sj139023306	7	16	lithium	lithium	NOUN
sj139023306	7	17	sulfur	sulfur	NOUN
sj139023306	7	18	-	-	PUNCT
sj139023306	7	19	batteries	battery	NOUN
sj139023306	7	20	.	.	PUNCT
sj139023306	8	1	lithium	lithium	NOUN
sj139023306	8	2	-	-	PUNCT
sj139023306	8	3	sulfur	sulfur	NOUN
sj139023306	8	4	are	be	AUX
sj139023306	8	5	high	high	ADJ
sj139023306	8	6	capacity	capacity	NOUN
sj139023306	8	7	batteries	battery	NOUN
sj139023306	8	8	,	,	PUNCT
sj139023306	8	9	but	but	CCONJ
sj139023306	8	10	suffer	suffer	VERB
sj139023306	8	11	from	from	ADP
sj139023306	8	12	poor	poor	ADJ
sj139023306	8	13	cycling	cycling	NOUN
sj139023306	8	14	capacity	capacity	NOUN
sj139023306	8	15	due	due	ADP
sj139023306	8	16	to	to	ADP
sj139023306	8	17	the	the	DET
sj139023306	8	18	polysulfide	polysulfide	NOUN
sj139023306	8	19	shuttling	shuttle	VERB
sj139023306	8	20	mechanism	mechanism	NOUN
sj139023306	8	21	.	.	PUNCT
sj139023306	9	1	the	the	DET
sj139023306	9	2	polysulfide	polysulfide	NOUN
sj139023306	9	3	shuttling	shuttle	VERB
sj139023306	9	4	mechanism	mechanism	NOUN
sj139023306	9	5	can	can	AUX
sj139023306	9	6	be	be	AUX
sj139023306	9	7	mitigated	mitigate	VERB
sj139023306	9	8	by	by	ADP
sj139023306	9	9	controlling	control	VERB
sj139023306	9	10	the	the	DET
sj139023306	9	11	solubility	solubility	NOUN
sj139023306	9	12	of	of	ADP
sj139023306	9	13	polysulfides	polysulfide	NOUN
sj139023306	9	14	in	in	ADP
sj139023306	9	15	the	the	DET
sj139023306	9	16	electrolyte	electrolyte	NOUN
sj139023306	9	17	solution	solution	NOUN
sj139023306	9	18	.	.	PUNCT
sj139023306	10	1	one	one	NUM
sj139023306	10	2	method	method	NOUN
sj139023306	10	3	of	of	ADP
sj139023306	10	4	mitigating	mitigate	VERB
sj139023306	10	5	the	the	DET
sj139023306	10	6	polysulfide	polysulfide	NOUN
sj139023306	10	7	shuttling	shuttle	VERB
sj139023306	10	8	mechanism	mechanism	NOUN
sj139023306	10	9	is	be	AUX
sj139023306	10	10	to	to	PART
sj139023306	10	11	include	include	VERB
sj139023306	10	12	highly	highly	ADV
sj139023306	10	13	-	-	PUNCT
sj139023306	10	14	fluorinated	fluorinate	VERB
sj139023306	10	15	ethers	ether	NOUN
sj139023306	10	16	in	in	ADP
sj139023306	10	17	the	the	DET
sj139023306	10	18	solution	solution	NOUN
sj139023306	10	19	.	.	PUNCT
sj139023306	11	1	molecular	molecular	ADJ
sj139023306	11	2	dynamics	dynamic	NOUN
sj139023306	11	3	simulations	simulation	NOUN
sj139023306	11	4	were	be	AUX
sj139023306	11	5	performed	perform	VERB
sj139023306	11	6	on	on	ADP
sj139023306	11	7	a	a	DET
sj139023306	11	8	system	system	NOUN
sj139023306	11	9	of	of	ADP
sj139023306	11	10	an	an	DET
sj139023306	11	11	electrolyte	electrolyte	NOUN
sj139023306	11	12	solution	solution	NOUN
sj139023306	11	13	mixed	mix	VERB
sj139023306	11	14	with	with	ADP
sj139023306	11	15	a	a	DET
sj139023306	11	16	fluorinated	fluorinated	ADJ
sj139023306	11	17	ether	ether	NOUN
sj139023306	11	18	.	.	PUNCT
sj139023306	12	1	it	it	PRON
sj139023306	12	2	was	be	AUX
sj139023306	12	3	shown	show	VERB
sj139023306	12	4	that	that	SCONJ
sj139023306	12	5	the	the	DET
sj139023306	12	6	fluorinated	fluorinate	VERB
sj139023306	12	7	ether	ether	NOUN
sj139023306	12	8	aggregated	aggregate	VERB
sj139023306	12	9	in	in	ADP
sj139023306	12	10	solution	solution	NOUN
sj139023306	12	11	instead	instead	ADV
sj139023306	12	12	of	of	ADP
sj139023306	12	13	coordinating	coordinate	VERB
sj139023306	12	14	with	with	ADP
sj139023306	12	15	the	the	DET
sj139023306	12	16	lithium	lithium	NOUN
sj139023306	12	17	in	in	ADP
sj139023306	12	18	the	the	DET
sj139023306	12	19	electrolyte	electrolyte	NOUN
sj139023306	12	20	solution	solution	NOUN
sj139023306	12	21	.	.	PUNCT
sj139023306	13	1	the	the	DET
sj139023306	13	2	final	final	ADJ
sj139023306	13	3	part	part	NOUN
sj139023306	13	4	of	of	ADP
sj139023306	13	5	the	the	DET
sj139023306	13	6	thesis	thesis	NOUN
sj139023306	13	7	focuses	focus	VERB
sj139023306	13	8	on	on	ADP
sj139023306	13	9	using	use	VERB
sj139023306	13	10	free	free	ADJ
sj139023306	13	11	-	-	PUNCT
sj139023306	13	12	energy	energy	NOUN
sj139023306	13	13	calculations	calculation	NOUN
sj139023306	13	14	to	to	PART
sj139023306	13	15	determine	determine	VERB
sj139023306	13	16	the	the	DET
sj139023306	13	17	role	role	NOUN
sj139023306	13	18	of	of	ADP
sj139023306	13	19	solvent	solvent	NOUN
sj139023306	13	20	on	on	ADP
sj139023306	13	21	the	the	DET
sj139023306	13	22	solubility	solubility	NOUN
sj139023306	13	23	of	of	ADP
sj139023306	13	24	polysulfides	polysulfide	NOUN
sj139023306	13	25	in	in	ADP
sj139023306	13	26	electrolyte	electrolyte	ADJ
sj139023306	13	27	solutions	solution	NOUN
sj139023306	13	28	.	.	PUNCT
sj139023306	14	1	a	a	DET
sj139023306	14	2	combination	combination	NOUN
sj139023306	14	3	of	of	ADP
sj139023306	14	4	bennett	bennett	PROPN
sj139023306	14	5	acceptance	acceptance	PROPN
sj139023306	14	6	ratio	ratio	PROPN
sj139023306	14	7	and	and	CCONJ
sj139023306	14	8	adaptive	adaptive	ADJ
sj139023306	14	9	biasing	biasing	NOUN
sj139023306	14	10	force	force	NOUN
sj139023306	14	11	are	be	AUX
sj139023306	14	12	used	use	VERB
sj139023306	14	13	to	to	PART
sj139023306	14	14	calculate	calculate	VERB
sj139023306	14	15	the	the	DET
sj139023306	14	16	relative	relative	ADJ
sj139023306	14	17	solubility	solubility	NOUN
sj139023306	14	18	of	of	ADP
sj139023306	14	19	polysulfide	polysulfide	NOUN
sj139023306	14	20	in	in	ADP
sj139023306	14	21	various	various	ADJ
sj139023306	14	22	solvents	solvent	NOUN
sj139023306	14	23	.	.	PUNCT
sj139023306	15	1	these	these	DET
sj139023306	15	2	relative	relative	ADJ
sj139023306	15	3	solubilities	solubility	NOUN
sj139023306	15	4	showed	show	VERB
sj139023306	15	5	the	the	DET
sj139023306	15	6	same	same	ADJ
sj139023306	15	7	trend	trend	NOUN
sj139023306	15	8	as	as	ADP
sj139023306	15	9	experimental	experimental	ADJ
sj139023306	15	10	measurements	measurement	NOUN
sj139023306	15	11	,	,	PUNCT
sj139023306	15	12	but	but	CCONJ
sj139023306	15	13	showed	show	VERB
sj139023306	15	14	a	a	DET
sj139023306	15	15	significantly	significantly	ADV
sj139023306	15	16	larger	large	ADJ
sj139023306	15	17	difference	difference	NOUN
sj139023306	15	18	between	between	ADP
sj139023306	15	19	solvents	solvent	NOUN
sj139023306	15	20	than	than	ADP
sj139023306	15	21	experiment	experiment	NOUN
sj139023306	15	22	.	.	PUNCT
sj139023306	16	1	adaptive	adaptive	ADJ
sj139023306	16	2	biasing	biasing	NOUN
sj139023306	16	3	force	force	NOUN
sj139023306	16	4	was	be	AUX
sj139023306	16	5	also	also	ADV
sj139023306	16	6	used	use	VERB
sj139023306	16	7	to	to	PART
sj139023306	16	8	calculate	calculate	VERB
sj139023306	16	9	the	the	DET
sj139023306	16	10	free	free	ADJ
sj139023306	16	11	energy	energy	NOUN
sj139023306	16	12	of	of	ADP
sj139023306	16	13	association	association	NOUN
sj139023306	16	14	between	between	ADP
sj139023306	16	15	lithium	lithium	NOUN
sj139023306	16	16	polysulfide	polysulfide	NOUN
sj139023306	16	17	in	in	ADP
sj139023306	16	18	solution	solution	NOUN
sj139023306	16	19	.	.	PUNCT
sj139023306	17	1	these	these	DET
sj139023306	17	2	free	free	ADJ
sj139023306	17	3	energies	energy	NOUN
sj139023306	17	4	are	be	AUX
sj139023306	17	5	compared	compare	VERB
sj139023306	17	6	to	to	ADP
sj139023306	17	7	other	other	ADJ
sj139023306	17	8	properties	property	NOUN
sj139023306	17	9	such	such	ADJ
sj139023306	17	10	as	as	ADP
sj139023306	17	11	the	the	DET
sj139023306	17	12	dielectric	dielectric	ADJ
sj139023306	17	13	constant	constant	ADJ
sj139023306	17	14	and	and	CCONJ
sj139023306	17	15	local	local	ADJ
sj139023306	17	16	coordination	coordination	NOUN
sj139023306	17	17	environment	environment	NOUN
sj139023306	17	18	.	.	PUNCT
sj139023306	18	1	these	these	DET
sj139023306	18	2	findings	finding	NOUN
sj139023306	18	3	were	be	AUX
sj139023306	18	4	used	use	VERB
sj139023306	18	5	to	to	PART
sj139023306	18	6	propose	propose	VERB
sj139023306	18	7	new	new	ADJ
sj139023306	18	8	solvents	solvent	NOUN
sj139023306	18	9	for	for	ADP
sj139023306	18	10	use	use	NOUN
sj139023306	18	11	in	in	ADP
sj139023306	18	12	lithium	lithium	NOUN
sj139023306	18	13	-	-	PUNCT
sj139023306	18	14	sulfur	sulfur	NOUN
sj139023306	18	15	batteries	battery	NOUN
sj139023306	18	16	.	.	PUNCT