id	sid	tid	token	lemma	pos
41687h1664c	1	1	hybrid	hybrid	PROPN
41687h1664c	1	2	monte	monte	PROPN
41687h1664c	1	3	carlo	carlo	PROPN
41687h1664c	1	4	(	(	PUNCT
41687h1664c	1	5	hmc	hmc	PROPN
41687h1664c	1	6	)	)	PUNCT
41687h1664c	1	7	is	be	AUX
41687h1664c	1	8	a	a	DET
41687h1664c	1	9	rigorous	rigorous	ADJ
41687h1664c	1	10	sampling	sampling	NOUN
41687h1664c	1	11	method	method	NOUN
41687h1664c	1	12	that	that	PRON
41687h1664c	1	13	uses	use	VERB
41687h1664c	1	14	molecular	molecular	ADJ
41687h1664c	1	15	dynamics	dynamic	NOUN
41687h1664c	1	16	(	(	PUNCT
41687h1664c	1	17	md	md	PROPN
41687h1664c	1	18	)	)	PUNCT
41687h1664c	1	19	as	as	ADP
41687h1664c	1	20	a	a	DET
41687h1664c	1	21	global	global	PROPN
41687h1664c	1	22	monte	monte	PROPN
41687h1664c	1	23	carlo	carlo	PROPN
41687h1664c	1	24	move	move	VERB
41687h1664c	1	25	to	to	PART
41687h1664c	1	26	search	search	VERB
41687h1664c	1	27	the	the	DET
41687h1664c	1	28	phase	phase	NOUN
41687h1664c	1	29	space	space	NOUN
41687h1664c	1	30	of	of	ADP
41687h1664c	1	31	molecules	molecule	NOUN
41687h1664c	1	32	.	.	PUNCT
41687h1664c	2	1	however	however	ADV
41687h1664c	2	2	,	,	PUNCT
41687h1664c	2	3	the	the	DET
41687h1664c	2	4	acceptance	acceptance	NOUN
41687h1664c	2	5	rate	rate	NOUN
41687h1664c	2	6	of	of	ADP
41687h1664c	2	7	hmc	hmc	PROPN
41687h1664c	2	8	,	,	PUNCT
41687h1664c	2	9	and	and	CCONJ
41687h1664c	2	10	thus	thus	ADV
41687h1664c	2	11	the	the	DET
41687h1664c	2	12	efficiency	efficiency	NOUN
41687h1664c	2	13	of	of	ADP
41687h1664c	2	14	the	the	DET
41687h1664c	2	15	method	method	NOUN
41687h1664c	2	16	,	,	PUNCT
41687h1664c	2	17	decays	decay	VERB
41687h1664c	2	18	exponentially	exponentially	ADV
41687h1664c	2	19	with	with	ADP
41687h1664c	2	20	increased	increase	VERB
41687h1664c	2	21	system	system	NOUN
41687h1664c	2	22	size	size	NOUN
41687h1664c	2	23	or	or	CCONJ
41687h1664c	2	24	timestep	timestep	NOUN
41687h1664c	2	25	.	.	PUNCT
41687h1664c	3	1	the	the	DET
41687h1664c	3	2	shadow	shadow	PROPN
41687h1664c	3	3	hybrid	hybrid	PROPN
41687h1664c	3	4	monte	monte	PROPN
41687h1664c	3	5	carlo	carlo	PROPN
41687h1664c	3	6	(	(	PUNCT
41687h1664c	3	7	shmc	shmc	PROPN
41687h1664c	3	8	)	)	PUNCT
41687h1664c	3	9	method	method	NOUN
41687h1664c	3	10	was	be	AUX
41687h1664c	3	11	previously	previously	ADV
41687h1664c	3	12	introduced	introduce	VERB
41687h1664c	3	13	to	to	PART
41687h1664c	3	14	overcome	overcome	VERB
41687h1664c	3	15	this	this	DET
41687h1664c	3	16	performance	performance	NOUN
41687h1664c	3	17	degradation	degradation	NOUN
41687h1664c	3	18	by	by	ADP
41687h1664c	3	19	sampling	sample	VERB
41687h1664c	3	20	from	from	ADP
41687h1664c	3	21	the	the	DET
41687h1664c	3	22	shadow	shadow	NOUN
41687h1664c	3	23	hamiltonian	hamiltonian	NOUN
41687h1664c	3	24	in	in	ADP
41687h1664c	3	25	lieu	lieu	NOUN
41687h1664c	3	26	of	of	ADP
41687h1664c	3	27	the	the	DET
41687h1664c	3	28	actual	actual	ADJ
41687h1664c	3	29	hamiltonian	hamiltonian	NOUN
41687h1664c	3	30	.	.	PUNCT
41687h1664c	4	1	a	a	DET
41687h1664c	4	2	numerical	numerical	ADJ
41687h1664c	4	3	integrator	integrator	NOUN
41687h1664c	4	4	for	for	ADP
41687h1664c	4	5	a	a	DET
41687h1664c	4	6	hamiltonian	hamiltonian	ADJ
41687h1664c	4	7	system	system	NOUN
41687h1664c	4	8	of	of	ADP
41687h1664c	4	9	ordinary	ordinary	ADJ
41687h1664c	4	10	differential	differential	ADJ
41687h1664c	4	11	equations	equation	NOUN
41687h1664c	4	12	exactly	exactly	ADV
41687h1664c	4	13	solves	solve	VERB
41687h1664c	4	14	a	a	DET
41687h1664c	4	15	shadow	shadow	NOUN
41687h1664c	4	16	hamiltonian	hamiltonian	NOUN
41687h1664c	4	17	if	if	SCONJ
41687h1664c	4	18	and	and	CCONJ
41687h1664c	4	19	only	only	ADV
41687h1664c	4	20	if	if	SCONJ
41687h1664c	4	21	the	the	DET
41687h1664c	4	22	integrator	integrator	NOUN
41687h1664c	4	23	is	be	AUX
41687h1664c	4	24	symplectic	symplectic	ADJ
41687h1664c	4	25	.	.	PUNCT
41687h1664c	5	1	high	high	ADJ
41687h1664c	5	2	order	order	NOUN
41687h1664c	5	3	approximations	approximation	NOUN
41687h1664c	5	4	to	to	ADP
41687h1664c	5	5	the	the	DET
41687h1664c	5	6	shadow	shadow	NOUN
41687h1664c	5	7	hamiltonian	hamiltonian	NOUN
41687h1664c	5	8	are	be	AUX
41687h1664c	5	9	efficiently	efficiently	ADV
41687h1664c	5	10	computed	compute	VERB
41687h1664c	5	11	,	,	PUNCT
41687h1664c	5	12	thus	thus	ADV
41687h1664c	5	13	,	,	PUNCT
41687h1664c	5	14	allowing	allow	VERB
41687h1664c	5	15	significant	significant	ADJ
41687h1664c	5	16	acceptance	acceptance	NOUN
41687h1664c	5	17	of	of	ADP
41687h1664c	5	18	the	the	DET
41687h1664c	5	19	md	md	PROPN
41687h1664c	5	20	step	step	NOUN
41687h1664c	5	21	in	in	ADP
41687h1664c	5	22	shmc	shmc	PROPN
41687h1664c	5	23	.	.	PUNCT
41687h1664c	6	1	in	in	ADP
41687h1664c	6	2	order	order	NOUN
41687h1664c	6	3	to	to	PART
41687h1664c	6	4	remove	remove	VERB
41687h1664c	6	5	the	the	DET
41687h1664c	6	6	bias	bias	NOUN
41687h1664c	6	7	of	of	ADP
41687h1664c	6	8	sampling	sample	VERB
41687h1664c	6	9	from	from	ADP
41687h1664c	6	10	the	the	DET
41687h1664c	6	11	shadow	shadow	NOUN
41687h1664c	6	12	hamiltonian	hamiltonian	NOUN
41687h1664c	6	13	,	,	PUNCT
41687h1664c	6	14	a	a	DET
41687h1664c	6	15	reweighting	reweighte	VERB
41687h1664c	6	16	step	step	NOUN
41687h1664c	6	17	is	be	AUX
41687h1664c	6	18	performed	perform	VERB
41687h1664c	6	19	on	on	ADP
41687h1664c	6	20	the	the	DET
41687h1664c	6	21	collected	collected	ADJ
41687h1664c	6	22	data	datum	NOUN
41687h1664c	6	23	.	.	PUNCT
41687h1664c	7	1	the	the	DET
41687h1664c	7	2	increase	increase	NOUN
41687h1664c	7	3	in	in	ADP
41687h1664c	7	4	efficiency	efficiency	NOUN
41687h1664c	7	5	of	of	ADP
41687h1664c	7	6	shmc	shmc	PROPN
41687h1664c	7	7	comes	come	VERB
41687h1664c	7	8	at	at	ADP
41687h1664c	7	9	the	the	DET
41687h1664c	7	10	expense	expense	NOUN
41687h1664c	7	11	of	of	ADP
41687h1664c	7	12	the	the	DET
41687h1664c	7	13	variance	variance	NOUN
41687h1664c	7	14	of	of	ADP
41687h1664c	7	15	reweighted	reweighte	VERB
41687h1664c	7	16	observables	observables	PROPN
41687h1664c	7	17	.	.	PUNCT
41687h1664c	8	1	in	in	ADP
41687h1664c	8	2	this	this	DET
41687h1664c	8	3	dissertation	dissertation	NOUN
41687h1664c	8	4	,	,	PUNCT
41687h1664c	8	5	i	i	PRON
41687h1664c	8	6	discuss	discuss	VERB
41687h1664c	8	7	the	the	DET
41687h1664c	8	8	development	development	NOUN
41687h1664c	8	9	of	of	ADP
41687h1664c	8	10	an	an	DET
41687h1664c	8	11	analytical	analytical	ADJ
41687h1664c	8	12	framework	framework	NOUN
41687h1664c	8	13	for	for	ADP
41687h1664c	8	14	the	the	DET
41687h1664c	8	15	analysis	analysis	NOUN
41687h1664c	8	16	of	of	ADP
41687h1664c	8	17	shadow	shadow	PROPN
41687h1664c	8	18	hybrid	hybrid	PROPN
41687h1664c	8	19	monte	monte	PROPN
41687h1664c	8	20	carlo	carlo	PROPN
41687h1664c	8	21	methods	method	NOUN
41687h1664c	8	22	.	.	PUNCT
41687h1664c	9	1	from	from	ADP
41687h1664c	9	2	this	this	DET
41687h1664c	9	3	analysis	analysis	NOUN
41687h1664c	9	4	,	,	PUNCT
41687h1664c	9	5	i	i	PRON
41687h1664c	9	6	show	show	VERB
41687h1664c	9	7	that	that	SCONJ
41687h1664c	9	8	the	the	DET
41687h1664c	9	9	performance	performance	NOUN
41687h1664c	9	10	of	of	ADP
41687h1664c	9	11	shmc	shmc	PROPN
41687h1664c	9	12	is	be	AUX
41687h1664c	9	13	limited	limit	VERB
41687h1664c	9	14	by	by	ADP
41687h1664c	9	15	the	the	DET
41687h1664c	9	16	need	need	NOUN
41687h1664c	9	17	to	to	PART
41687h1664c	9	18	generate	generate	VERB
41687h1664c	9	19	momenta	momenta	NOUN
41687h1664c	9	20	for	for	ADP
41687h1664c	9	21	the	the	DET
41687h1664c	9	22	md	md	PROPN
41687h1664c	9	23	step	step	NOUN
41687h1664c	9	24	from	from	ADP
41687h1664c	9	25	a	a	DET
41687h1664c	9	26	non	non	ADJ
41687h1664c	9	27	-	-	ADJ
41687h1664c	9	28	separable	separable	ADJ
41687h1664c	9	29	shadow	shadow	NOUN
41687h1664c	9	30	hamiltonian	hamiltonian	NOUN
41687h1664c	9	31	.	.	PUNCT
41687h1664c	10	1	in	in	ADP
41687h1664c	10	2	addition	addition	NOUN
41687h1664c	10	3	,	,	PUNCT
41687h1664c	10	4	i	i	PRON
41687h1664c	10	5	present	present	VERB
41687h1664c	10	6	a	a	DET
41687h1664c	10	7	method	method	NOUN
41687h1664c	10	8	for	for	ADP
41687h1664c	10	9	determining	determine	VERB
41687h1664c	10	10	the	the	DET
41687h1664c	10	11	optimal	optimal	ADJ
41687h1664c	10	12	parameterization	parameterization	NOUN
41687h1664c	10	13	of	of	ADP
41687h1664c	10	14	shmc	shmc	PROPN
41687h1664c	10	15	.	.	PUNCT
41687h1664c	11	1	this	this	PRON
41687h1664c	11	2	includes	include	VERB
41687h1664c	11	3	the	the	DET
41687h1664c	11	4	ability	ability	NOUN
41687h1664c	11	5	to	to	PART
41687h1664c	11	6	ascertain	ascertain	VERB
41687h1664c	11	7	the	the	DET
41687h1664c	11	8	timestep	timestep	NOUN
41687h1664c	11	9	which	which	PRON
41687h1664c	11	10	will	will	AUX
41687h1664c	11	11	allow	allow	VERB
41687h1664c	11	12	for	for	ADP
41687h1664c	11	13	maximum	maximum	ADJ
41687h1664c	11	14	efficiency	efficiency	NOUN
41687h1664c	11	15	of	of	ADP
41687h1664c	11	16	the	the	DET
41687h1664c	11	17	method	method	NOUN
41687h1664c	11	18	.	.	PUNCT
41687h1664c	12	1	the	the	DET
41687h1664c	12	2	reweighting	reweighte	VERB
41687h1664c	12	3	step	step	NOUN
41687h1664c	12	4	usually	usually	ADV
41687h1664c	12	5	causes	cause	VERB
41687h1664c	12	6	an	an	DET
41687h1664c	12	7	increase	increase	NOUN
41687h1664c	12	8	in	in	ADP
41687h1664c	12	9	the	the	DET
41687h1664c	12	10	variance	variance	NOUN
41687h1664c	12	11	of	of	ADP
41687h1664c	12	12	observed	observed	ADJ
41687h1664c	12	13	data	datum	NOUN
41687h1664c	12	14	,	,	PUNCT
41687h1664c	12	15	but	but	CCONJ
41687h1664c	12	16	it	it	PRON
41687h1664c	12	17	is	be	AUX
41687h1664c	12	18	now	now	ADV
41687h1664c	12	19	possible	possible	ADJ
41687h1664c	12	20	to	to	PART
41687h1664c	12	21	ascertain	ascertain	VERB
41687h1664c	12	22	the	the	DET
41687h1664c	12	23	magnitude	magnitude	NOUN
41687h1664c	12	24	of	of	ADP
41687h1664c	12	25	the	the	DET
41687h1664c	12	26	variance	variance	NOUN
41687h1664c	12	27	beforehand	beforehand	ADV
41687h1664c	12	28	.	.	PUNCT
41687h1664c	13	1	finally	finally	ADV
41687h1664c	13	2	,	,	PUNCT
41687h1664c	13	3	i	i	PRON
41687h1664c	13	4	introduce	introduce	VERB
41687h1664c	13	5	a	a	DET
41687h1664c	13	6	new	new	ADJ
41687h1664c	13	7	algorithm	algorithm	NOUN
41687h1664c	13	8	,	,	PUNCT
41687h1664c	13	9	separable	separable	ADJ
41687h1664c	13	10	shadow	shadow	NOUN
41687h1664c	13	11	hybrid	hybrid	PROPN
41687h1664c	13	12	monte	monte	PROPN
41687h1664c	13	13	carlo	carlo	PROPN
41687h1664c	13	14	(	(	PUNCT
41687h1664c	13	15	s2hmc	s2hmc	PROPN
41687h1664c	13	16	)	)	PUNCT
41687h1664c	13	17	,	,	PUNCT
41687h1664c	13	18	which	which	PRON
41687h1664c	13	19	is	be	AUX
41687h1664c	13	20	based	base	VERB
41687h1664c	13	21	on	on	ADP
41687h1664c	13	22	a	a	DET
41687h1664c	13	23	separable	separable	ADJ
41687h1664c	13	24	formulation	formulation	NOUN
41687h1664c	13	25	of	of	ADP
41687h1664c	13	26	the	the	DET
41687h1664c	13	27	shadow	shadow	NOUN
41687h1664c	13	28	hamiltonian	hamiltonian	NOUN
41687h1664c	13	29	.	.	PUNCT
41687h1664c	14	1	s2hmc	s2hmc	PROPN
41687h1664c	14	2	is	be	AUX
41687h1664c	14	3	able	able	ADJ
41687h1664c	14	4	to	to	PART
41687h1664c	14	5	quickly	quickly	ADV
41687h1664c	14	6	generate	generate	VERB
41687h1664c	14	7	momenta	momenta	NOUN
41687h1664c	14	8	from	from	ADP
41687h1664c	14	9	the	the	DET
41687h1664c	14	10	correct	correct	ADJ
41687h1664c	14	11	distribution	distribution	NOUN
41687h1664c	14	12	,	,	PUNCT
41687h1664c	14	13	thereby	thereby	ADV
41687h1664c	14	14	overcoming	overcome	VERB
41687h1664c	14	15	a	a	DET
41687h1664c	14	16	limitation	limitation	NOUN
41687h1664c	14	17	of	of	ADP
41687h1664c	14	18	shmc	shmc	PROPN
41687h1664c	14	19	.	.	PUNCT
41687h1664c	15	1	s2hmc	s2hmc	PROPN
41687h1664c	15	2	has	have	VERB
41687h1664c	15	3	the	the	DET
41687h1664c	15	4	added	add	VERB
41687h1664c	15	5	advantage	advantage	NOUN
41687h1664c	15	6	that	that	SCONJ
41687h1664c	15	7	no	no	DET
41687h1664c	15	8	additional	additional	ADJ
41687h1664c	15	9	parameters	parameter	NOUN
41687h1664c	15	10	are	be	AUX
41687h1664c	15	11	required	require	VERB
41687h1664c	15	12	.	.	PUNCT
41687h1664c	16	1	through	through	ADP
41687h1664c	16	2	analysis	analysis	NOUN
41687h1664c	16	3	and	and	CCONJ
41687h1664c	16	4	numerical	numerical	ADJ
41687h1664c	16	5	experiments	experiment	NOUN
41687h1664c	16	6	i	i	PRON
41687h1664c	16	7	show	show	VERB
41687h1664c	16	8	that	that	SCONJ
41687h1664c	16	9	s2hmc	s2hmc	PROPN
41687h1664c	16	10	is	be	AUX
41687h1664c	16	11	at	at	ADP
41687h1664c	16	12	least	least	ADV
41687h1664c	16	13	twice	twice	ADV
41687h1664c	16	14	more	more	ADV
41687h1664c	16	15	efficient	efficient	ADJ
41687h1664c	16	16	than	than	ADP
41687h1664c	16	17	hmc	hmc	VERB
41687h1664c	16	18	for	for	ADP
41687h1664c	16	19	all	all	DET
41687h1664c	16	20	systems	system	NOUN
41687h1664c	16	21	larger	large	ADJ
41687h1664c	16	22	than	than	ADP
41687h1664c	16	23	a	a	DET
41687h1664c	16	24	few	few	ADJ
41687h1664c	16	25	thousand	thousand	NUM
41687h1664c	16	26	atoms	atom	NOUN
41687h1664c	16	27	.	.	PUNCT